(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide

C24H37N3O2 — CID 93210379

IUPAC(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C24H37N3O2/c1-18(2)15-22(28)26-11-13-27(14-12-26)23(21-9-4-5-10-21)24(29)25-17-20-8-6-7-19(3)16-20/h6-8,16,18,21,23H,4-5,9-15,17H2,1-3H3,(H,25,29)/t23-/m1/s1
InChIKeyNFCBJELSBRTCSW-HSZRJFAPSA-N
MW399.58 g/mol
LogP3.36
Rot. Bonds7

About (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide

(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 93210379) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID93210379
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C24H37N3O2/c1-18(2)15-22(28)26-11-13-27(14-12-26)23(21-9-4-5-10-21)24(29)25-17-20-8-6-7-19(3)16-20/h6-8,16,18,21,23H,4-5,9-15,17H2,1-3H3,(H,25,29)/t23-/m1/s1
InChIKeyNFCBJELSBRTCSW-HSZRJFAPSA-N
XLogP3.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 93210382
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378
4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221329
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
(2S)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210398
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93209571
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 93210253
2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 46024567
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
(2R)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 93221771
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 93210379) is (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is NFCBJELSBRTCSW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18(2)15-22(28)26-11-13-27(14-12-26)23(21-9-4-5-10-21)24(29)25-17-20-8-6-7-19(3)16-20/h6-8,16,18,21,23H,4-5,9-15,17H2,1-3H3,(H,25,29)/t23-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 399.58 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 93210379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).