(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

C18H24F2N2O2 — CID 94367549

IUPAC(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C18H24F2N2O2/c1-3-6-12(2)21-17(23)13-7-5-10-22(11-13)18(24)16-14(19)8-4-9-15(16)20/h4,8-9,12-13H,3,5-7,10-11H2,1-2H3,(H,21,23)/t12-,13+/m1/s1
InChIKeySXWBBDUENHMNAT-OLZOCXBDSA-N
MW338.40 g/mol
LogP3.12
Rot. Bonds5

About (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 94367549) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID94367549
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C18H24F2N2O2/c1-3-6-12(2)21-17(23)13-7-5-10-22(11-13)18(24)16-14(19)8-4-9-15(16)20/h4,8-9,12-13H,3,5-7,10-11H2,1-2H3,(H,21,23)/t12-,13+/m1/s1
InChIKeySXWBBDUENHMNAT-OLZOCXBDSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-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

(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482140
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (CID 94367549) is (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1.
What is the InChIKey of (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is SXWBBDUENHMNAT-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-3-6-12(2)21-17(23)13-7-5-10-22(11-13)18(24)16-14(19)8-4-9-15(16)20/h4,8-9,12-13H,3,5-7,10-11H2,1-2H3,(H,21,23)/t12-,13+/m1/s1.
What are the key properties of (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94367549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).