2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

C18H33N3O2 — CID 78856763

IUPAC2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15(2)19(3)18(23)14-20-10-12-21(13-11-20)17(22)9-8-16-6-4-5-7-16/h15-16H,4-14H2,1-3H3
InChIKeyFHVYKMUSODYEKX-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.97
Rot. Bonds6

About 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 78856763) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID78856763
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15(2)19(3)18(23)14-20-10-12-21(13-11-20)17(22)9-8-16-6-4-5-7-16/h15-16H,4-14H2,1-3H3
InChIKeyFHVYKMUSODYEKX-UHFFFAOYSA-N
XLogP1.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 60588600
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 108569569
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983173
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 110898395
2-[3-(2-aminoethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63763892

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 78856763) is 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is FHVYKMUSODYEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15(2)19(3)18(23)14-20-10-12-21(13-11-20)17(22)9-8-16-6-4-5-7-16/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 323.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 78856763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).