N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

C23H35N3O2 — CID 42842363

IUPACN-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)C(=O)N1CCN(C(C(=O)N(C)Cc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)22(27)26-15-13-25(14-16-26)21(20-11-7-8-12-20)23(28)24(3)17-19-9-5-4-6-10-19/h4-6,9-10,18,20-21H,7-8,11-17H2,1-3H3
InChIKeyQQHDTGZNDHWUDK-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.00
Rot. Bonds6

About N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 42842363) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
PubChem CID42842363
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)C(=O)N1CCN(C(C(=O)N(C)Cc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)22(27)26-15-13-25(14-16-26)21(20-11-7-8-12-20)23(28)24(3)17-19-9-5-4-6-10-19/h4-6,9-10,18,20-21H,7-8,11-17H2,1-3H3
InChIKeyQQHDTGZNDHWUDK-UHFFFAOYSA-N
XLogP3.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42842361
N-benzyl-2-cyclopentyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 42842360
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
CID 46024140
(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 24719893
(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 93208786
2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 154795037
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42682704
2-cyclopentyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 24719892

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (CID 42842363) is N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is CC(C)C(=O)N1CCN(C(C(=O)N(C)Cc2ccccc2)C2CCCC2)CC1.
What is the InChIKey of N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is QQHDTGZNDHWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18(2)22(27)26-15-13-25(14-16-26)21(20-11-7-8-12-20)23(28)24(3)17-19-9-5-4-6-10-19/h4-6,9-10,18,20-21H,7-8,11-17H2,1-3H3.
What are the key properties of N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42842363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).