4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide

C76H84ClF7N12O8 — CID 159885857

IUPAC4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(Cc3cc(F)cc(Cl)c3)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)ccc1=O
InChIInChI=1S/C19H21ClFN3O2.3C19H21F2N3O2/c1-23-12-17(2-3-18(23)25)22-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14;1-23-12-16(3-5-18(23)25)22-19(26)24-8-6-13(7-9-24)10-14-11-15(20)2-4-17(14)21;1-23-12-15(3-5-18(23)25)22-19(26)24-8-6-13(7-9-24)10-14-2-4-16(20)17(21)11-14;1-23-12-17(2-3-18(23)25)22-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14/h2-3,9-13H,4-8H2,1H3,(H,22,26);2*2-5,11-13H,6-10H2,1H3,(H,22,26);2-3,9-13H,4-8H2,1H3,(H,22,26)
InChIKeyNUCYOWNZAKREIB-UHFFFAOYSA-N
MW1462.02 g/mol
LogP13.11
Rot. Bonds12

About 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide

4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 159885857) has the molecular formula C76H84ClF7N12O8 and a molecular weight of 1462.02 g/mol. Its IUPAC name is 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
PubChem CID159885857
Molecular FormulaC76H84ClF7N12O8
Molecular Weight1462.02 g/mol
Exact Mass1460.61
IUPAC Name4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(Cc3cc(F)cc(Cl)c3)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)ccc1=O
InChIInChI=1S/C19H21ClFN3O2.3C19H21F2N3O2/c1-23-12-17(2-3-18(23)25)22-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14;1-23-12-16(3-5-18(23)25)22-19(26)24-8-6-13(7-9-24)10-14-11-15(20)2-4-17(14)21;1-23-12-15(3-5-18(23)25)22-19(26)24-8-6-13(7-9-24)10-14-2-4-16(20)17(21)11-14;1-23-12-17(2-3-18(23)25)22-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14/h2-3,9-13H,4-8H2,1H3,(H,22,26);2*2-5,11-13H,6-10H2,1H3,(H,22,26);2-3,9-13H,4-8H2,1H3,(H,22,26)
InChIKeyNUCYOWNZAKREIB-UHFFFAOYSA-N
XLogP13.11
TPSA217.36 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.02
LogP ≤ 513.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154662314
4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154662447
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
3-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122065991
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662305
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
4-[(3-chlorophenyl)methyl]piperidine;5-[2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-1-methylpyridin-2-one;2-(1-methyl-6-oxo-3-pyridinyl)acetic acid
CID 158539346
5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
CID 114842121
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
N-(4-chlorophenyl)-4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidine-1-carboxamide
CID 127040790

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide (CID 159885857) is 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(Cc3cc(F)cc(Cl)c3)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)ccc1=O.Cn1cc(NC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)ccc1=O.
What is the InChIKey of 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is NUCYOWNZAKREIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2.3C19H21F2N3O2/c1-23-12-17(2-3-18(23)25)22-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14;1-23-12-16(3-5-18(23)25)22-19(26)24-8-6-13(7-9-24)10-14-11-15(20)2-4-17(14)21;1-23-12-15(3-5-18(23)25)22-19(26)24-8-6-13(7-9-24)10-14-2-4-16(20)17(21)11-14;1-23-12-17(2-3-18(23)25)22-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14/h2-3,9-13H,4-8H2,1H3,(H,22,26);2*2-5,11-13H,6-10H2,1H3,(H,22,26);2-3,9-13H,4-8H2,1H3,(H,22,26).
What are the key properties of 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 1462.02 g/mol, XLogP of 13.11, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 159885857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).