N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide

C20H28N2O3 — CID 95906190

IUPACN-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-18(14-20(25)11-5-2-6-12-20)21-17-10-7-13-22(15-17)19(24)16-8-3-1-4-9-16/h1,3-4,8-9,17,25H,2,5-7,10-15H2,(H,21,23)/t17-/m0/s1
InChIKeyPQGSXFWDLITKGI-KRWDZBQOSA-N
MW344.45 g/mol
LogP2.49
Rot. Bonds4

About N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide

N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 95906190) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID95906190
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)N[C@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-18(14-20(25)11-5-2-6-12-20)21-17-10-7-13-22(15-17)19(24)16-8-3-1-4-9-16/h1,3-4,8-9,17,25H,2,5-7,10-15H2,(H,21,23)/t17-/m0/s1
InChIKeyPQGSXFWDLITKGI-KRWDZBQOSA-N
XLogP2.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131942557
1-benzoyl-N-[(1-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 111333032
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
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
2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide (CID 95906190) is N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)N[C@H]1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is PQGSXFWDLITKGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18(14-20(25)11-5-2-6-12-20)21-17-10-7-13-22(15-17)19(24)16-8-3-1-4-9-16/h1,3-4,8-9,17,25H,2,5-7,10-15H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 344.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 95906190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).