(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide

C22H33N3O3 — CID 93208786

IUPAC(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C22H33N3O3/c1-4-23(2)22(27)20(17-9-5-6-10-17)24-13-15-25(16-14-24)21(26)18-11-7-8-12-19(18)28-3/h7-8,11-12,17,20H,4-6,9-10,13-16H2,1-3H3/t20-/m0/s1
InChIKeyZNZFUXYBYQUVIJ-FQEVSTJZSA-N
MW387.52 g/mol
LogP2.49
Rot. Bonds6

About (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide

(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 93208786) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID93208786
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C22H33N3O3/c1-4-23(2)22(27)20(17-9-5-6-10-17)24-13-15-25(16-14-24)21(26)18-11-7-8-12-19(18)28-3/h7-8,11-12,17,20H,4-6,9-10,13-16H2,1-3H3/t20-/m0/s1
InChIKeyZNZFUXYBYQUVIJ-FQEVSTJZSA-N
XLogP2.49
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 24719892
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42682704
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
CID 46024140
(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
CID 93209043
2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024137
(2R)-2-cyclopentyl-N,N-diethyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93208283
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42842361
(2S)-2-cyclopentyl-N-ethyl-N-methyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208773
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide (CID 93208786) is (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide is CCN(C)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is ZNZFUXYBYQUVIJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-4-23(2)22(27)20(17-9-5-6-10-17)24-13-15-25(16-14-24)21(26)18-11-7-8-12-19(18)28-3/h7-8,11-12,17,20H,4-6,9-10,13-16H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide?
(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 387.52 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 93208786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).