N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide

C20H28N2O — CID 45191222

IUPACN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
SMILESCN(C(=O)C1=CCCC1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H28N2O/c1-21(20(23)18-10-5-6-11-18)19-12-7-14-22(16-19)15-13-17-8-3-2-4-9-17/h2-4,8-10,19H,5-7,11-16H2,1H3
InChIKeyGKCUBNAHIHSCHZ-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.26
Rot. Bonds5

About N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide

N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide (PubChem CID 45191222) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
PubChem CID45191222
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
SMILESCN(C(=O)C1=CCCC1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H28N2O/c1-21(20(23)18-10-5-6-11-18)19-12-7-14-22(16-19)15-13-17-8-3-2-4-9-17/h2-4,8-10,19H,5-7,11-16H2,1H3
InChIKeyGKCUBNAHIHSCHZ-UHFFFAOYSA-N
XLogP3.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45183595
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411925

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide?
The IUPAC name of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide (CID 45191222) is N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide?
The canonical SMILES for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide is CN(C(=O)C1=CCCC1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide?
The InChIKey is GKCUBNAHIHSCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-21(20(23)18-10-5-6-11-18)19-12-7-14-22(16-19)15-13-17-8-3-2-4-9-17/h2-4,8-10,19H,5-7,11-16H2,1H3.
What are the key properties of N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide?
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide is sourced from PubChem (CID 45191222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).