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

C26H32ClN3O2 — CID 93210378

IUPAC(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H32ClN3O2/c1-19-7-6-8-20(17-19)18-28-25(31)24(21-9-2-3-10-21)29-13-15-30(16-14-29)26(32)22-11-4-5-12-23(22)27/h4-8,11-12,17,21,24H,2-3,9-10,13-16,18H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeySPEPBDIYLWVDSJ-DEOSSOPVSA-N
MW454.01 g/mol
LogP4.28
Rot. Bonds6

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

(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 93210378) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
PubChem CID93210378
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H32ClN3O2/c1-19-7-6-8-20(17-19)18-28-25(31)24(21-9-2-3-10-21)29-13-15-30(16-14-29)26(32)22-11-4-5-12-23(22)27/h4-8,11-12,17,21,24H,2-3,9-10,13-16,18H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeySPEPBDIYLWVDSJ-DEOSSOPVSA-N
XLogP4.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
(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-[(3-methylphenyl)methyl]acetamide
CID 93210379
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 46024261
(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 93210382
4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221329
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 46024575
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 93210232
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide (CID 93210378) is (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is SPEPBDIYLWVDSJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-19-7-6-8-20(17-19)18-28-25(31)24(21-9-2-3-10-21)29-13-15-30(16-14-29)26(32)22-11-4-5-12-23(22)27/h4-8,11-12,17,21,24H,2-3,9-10,13-16,18H2,1H3,(H,28,31)/t24-/m0/s1.
What are the key properties of (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide?
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 454.01 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 93210378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).