2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide

C22H32N2O — CID 45198921

IUPAC2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
SMILESCN(C(=O)CC1=CCCCC1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H32N2O/c1-23(22(25)17-20-11-6-3-7-12-20)21-13-8-15-24(18-21)16-14-19-9-4-2-5-10-19/h2,4-5,9-11,21H,3,6-8,12-18H2,1H3
InChIKeyCTMAHIWRNVSJDN-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.04
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide

2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide (PubChem CID 45198921) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
PubChem CID45198921
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
SMILESCN(C(=O)CC1=CCCCC1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H32N2O/c1-23(22(25)17-20-11-6-3-7-12-20)21-13-8-15-24(18-21)16-14-19-9-4-2-5-10-19/h2,4-5,9-11,21H,3,6-8,12-18H2,1H3
InChIKeyCTMAHIWRNVSJDN-UHFFFAOYSA-N
XLogP4.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42457135
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
CID 25384161
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide (CID 45198921) is 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide is CN(C(=O)CC1=CCCCC1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
The InChIKey is CTMAHIWRNVSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-23(22(25)17-20-11-6-3-7-12-20)21-13-8-15-24(18-21)16-14-19-9-4-2-5-10-19/h2,4-5,9-11,21H,3,6-8,12-18H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide?
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 45198921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).