N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide

C19H18F2N2O2 — CID 95276174

IUPACN-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
SMILESO=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N2O2/c20-15-9-14(10-16(21)11-15)18(24)22-17-7-4-8-23(12-17)19(25)13-5-2-1-3-6-13/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,22,24)/t17-/m0/s1
InChIKeyFVUFVZSWQHNBCM-KRWDZBQOSA-N
MW344.36 g/mol
LogP3.00
Rot. Bonds3

About N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide

N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide (PubChem CID 95276174) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
PubChem CID95276174
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
SMILESO=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N2O2/c20-15-9-14(10-16(21)11-15)18(24)22-17-7-4-8-23(12-17)19(25)13-5-2-1-3-6-13/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,22,24)/t17-/m0/s1
InChIKeyFVUFVZSWQHNBCM-KRWDZBQOSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
N-(1-benzoylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785318
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
CID 125166283
N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide
CID 75375952
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide (CID 95276174) is N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide is O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide?
The InChIKey is FVUFVZSWQHNBCM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-15-9-14(10-16(21)11-15)18(24)22-17-7-4-8-23(12-17)19(25)13-5-2-1-3-6-13/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide?
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide has a molecular weight of 344.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 95276174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).