N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide

C25H22ClF2N3O3 — CID 168960228

IUPACN-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2cccc(C(=O)N3CC(C(=O)Nc4cccc(Cl)c4)CC(F)(F)C3)c2)n1
InChIInChI=1S/C25H22ClF2N3O3/c1-34-22-10-4-9-21(30-22)16-5-2-6-17(11-16)24(33)31-14-18(13-25(27,28)15-31)23(32)29-20-8-3-7-19(26)12-20/h2-12,18H,13-15H2,1H3,(H,29,32)
InChIKeyRNHJAKMKJJKTRZ-UHFFFAOYSA-N
MW485.92 g/mol
LogP5.15
Rot. Bonds5

About N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide

N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide (PubChem CID 168960228) has the molecular formula C25H22ClF2N3O3 and a molecular weight of 485.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide
PubChem CID168960228
Molecular FormulaC25H22ClF2N3O3
Molecular Weight485.92 g/mol
Exact Mass485.13
IUPAC NameN-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2cccc(C(=O)N3CC(C(=O)Nc4cccc(Cl)c4)CC(F)(F)C3)c2)n1
InChIInChI=1S/C25H22ClF2N3O3/c1-34-22-10-4-9-21(30-22)16-5-2-6-17(11-16)24(33)31-14-18(13-25(27,28)15-31)23(32)29-20-8-3-7-19(26)12-20/h2-12,18H,13-15H2,1H3,(H,29,32)
InChIKeyRNHJAKMKJJKTRZ-UHFFFAOYSA-N
XLogP5.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.92
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxyazetidin-1-yl)-[3-(6-methoxy-2-pyridinyl)phenyl]methanone
CID 118772155
N-(3-chlorophenyl)-5,5-difluoro-1-[2-fluoro-5-(2-oxo-1H-pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CID 168960254
N-[3-chloro-5-(trifluoromethoxy)phenyl]-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
CID 168960258
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide
CID 139004800
N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 42869328
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide (CID 168960228) is N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide is COc1cccc(-c2cccc(C(=O)N3CC(C(=O)Nc4cccc(Cl)c4)CC(F)(F)C3)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is RNHJAKMKJJKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N3O3/c1-34-22-10-4-9-21(30-22)16-5-2-6-17(11-16)24(33)31-14-18(13-25(27,28)15-31)23(32)29-20-8-3-7-19(26)12-20/h2-12,18H,13-15H2,1H3,(H,29,32).
What are the key properties of N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide?
N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 485.92 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 168960228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).