N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide

C18H24N2O3 — CID 95567400

IUPACN-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CCOCC1
InChIInChI=1S/C18H24N2O3/c21-17(14-8-11-23-12-9-14)19-16-7-4-10-20(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,19,21)/t16-/m0/s1
InChIKeyNWMBTDLUCPZJCQ-INIZCTEOSA-N
MW316.40 g/mol
LogP1.83
Rot. Bonds3

About N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide

N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide (PubChem CID 95567400) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
PubChem CID95567400
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CCOCC1
InChIInChI=1S/C18H24N2O3/c21-17(14-8-11-23-12-9-14)19-16-7-4-10-20(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,19,21)/t16-/m0/s1
InChIKeyNWMBTDLUCPZJCQ-INIZCTEOSA-N
XLogP1.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131942557
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide (CID 95567400) is N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide is O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CCOCC1.
What is the InChIKey of N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide?
The InChIKey is NWMBTDLUCPZJCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(14-8-11-23-12-9-14)19-16-7-4-10-20(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide?
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 95567400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).