N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide

C21H32N2O — CID 92968552

IUPACN-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
SMILESC[C@@H](c1ccc(C2CCCC2)cc1)N(C)C(=O)CN1CCCCC1
InChIInChI=1S/C21H32N2O/c1-17(22(2)21(24)16-23-14-6-3-7-15-23)18-10-12-20(13-11-18)19-8-4-5-9-19/h10-13,17,19H,3-9,14-16H2,1-2H3/t17-/m0/s1
InChIKeyQDSLHMSMMBSBBA-KRWDZBQOSA-N
MW328.50 g/mol
LogP4.35
Rot. Bonds5

About N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide

N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide (PubChem CID 92968552) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
PubChem CID92968552
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
SMILESC[C@@H](c1ccc(C2CCCC2)cc1)N(C)C(=O)CN1CCCCC1
InChIInChI=1S/C21H32N2O/c1-17(22(2)21(24)16-23-14-6-3-7-15-23)18-10-12-20(13-11-18)19-8-4-5-9-19/h10-13,17,19H,3-9,14-16H2,1-2H3/t17-/m0/s1
InChIKeyQDSLHMSMMBSBBA-KRWDZBQOSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide;hydrate;dihydrochloride
CID 21154401
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 97117053
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903870
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60939432
(Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide
CID 20841031
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903869
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 95268917
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride
CID 3066893
N-butyl-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 78900799

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide (CID 92968552) is N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide is C[C@@H](c1ccc(C2CCCC2)cc1)N(C)C(=O)CN1CCCCC1.
What is the InChIKey of N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide?
The InChIKey is QDSLHMSMMBSBBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H32N2O/c1-17(22(2)21(24)16-23-14-6-3-7-15-23)18-10-12-20(13-11-18)19-8-4-5-9-19/h10-13,17,19H,3-9,14-16H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide?
N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide has a molecular weight of 328.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 92968552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).