2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

C22H32N2O — CID 42457135

IUPAC2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESO=C(CC1=CCCCC1)N[C@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C22H32N2O/c25-22(17-20-11-5-2-6-12-20)23-21-14-8-16-24(18-21)15-7-13-19-9-3-1-4-10-19/h1,3-4,9-11,21H,2,5-8,12-18H2,(H,23,25)/t21-/m0/s1
InChIKeyCIBLOQWCTKWSDL-NRFANRHFSA-N
MW340.51 g/mol
LogP4.09
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (PubChem CID 42457135) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
PubChem CID42457135
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESO=C(CC1=CCCCC1)N[C@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C22H32N2O/c25-22(17-20-11-5-2-6-12-20)23-21-14-8-16-24(18-21)15-7-13-19-9-3-1-4-10-19/h1,3-4,9-11,21H,2,5-8,12-18H2,(H,23,25)/t21-/m0/s1
InChIKeyCIBLOQWCTKWSDL-NRFANRHFSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42453249
N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45233013
N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 136917886

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (CID 42457135) is 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is O=C(CC1=CCCCC1)N[C@H]1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The InChIKey is CIBLOQWCTKWSDL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H32N2O/c25-22(17-20-11-5-2-6-12-20)23-21-14-8-16-24(18-21)15-7-13-19-9-3-1-4-10-19/h1,3-4,9-11,21H,2,5-8,12-18H2,(H,23,25)/t21-/m0/s1.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 42457135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).