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

C19H21F2N3O2 — CID 154662314

IUPAC4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)ccc1=O
InChIInChI=1S/C19H21F2N3O2/c1-23-12-16(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/h2-5,11-13H,6-10H2,1H3,(H,22,26)
InChIKeyZDASEMDMRXAKKI-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.15
Rot. Bonds3

About 4-[(2,5-difluorophenyl)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 (PubChem CID 154662314) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
PubChem CID154662314
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)ccc1=O
InChIInChI=1S/C19H21F2N3O2/c1-23-12-16(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/h2-5,11-13H,6-10H2,1H3,(H,22,26)
InChIKeyZDASEMDMRXAKKI-UHFFFAOYSA-N
XLogP3.15
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide (CID 154662314) is 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)ccc1=O.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is ZDASEMDMRXAKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-23-12-16(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/h2-5,11-13H,6-10H2,1H3,(H,22,26).
What are the key properties of 4-[(2,5-difluorophenyl)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 has a molecular weight of 361.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 154662314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).