(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide

C26H32ClN3O2 — CID 93209331

IUPAC(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
SMILESO=C(NCCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C26H32ClN3O2/c27-23-13-7-6-12-22(23)26(32)30-18-16-29(17-19-30)24(21-10-4-5-11-21)25(31)28-15-14-20-8-2-1-3-9-20/h1-3,6-9,12-13,21,24H,4-5,10-11,14-19H2,(H,28,31)/t24-/m1/s1
InChIKeyCKTQMQHXVBFEEZ-XMMPIXPASA-N
MW454.01 g/mol
LogP4.02
Rot. Bonds7

About (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide

(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide (PubChem CID 93209331) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
PubChem CID93209331
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
SMILESO=C(NCCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C26H32ClN3O2/c27-23-13-7-6-12-22(23)26(32)30-18-16-29(17-19-30)24(21-10-4-5-11-21)25(31)28-15-14-20-8-2-1-3-9-20/h1-3,6-9,12-13,21,24H,4-5,10-11,14-19H2,(H,28,31)/t24-/m1/s1
InChIKeyCKTQMQHXVBFEEZ-XMMPIXPASA-N
XLogP4.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 46024261
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide?
The IUPAC name of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide (CID 93209331) is (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide is O=C(NCCc1ccccc1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide?
The InChIKey is CKTQMQHXVBFEEZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H32ClN3O2/c27-23-13-7-6-12-22(23)26(32)30-18-16-29(17-19-30)24(21-10-4-5-11-21)25(31)28-15-14-20-8-2-1-3-9-20/h1-3,6-9,12-13,21,24H,4-5,10-11,14-19H2,(H,28,31)/t24-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide?
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide has a molecular weight of 454.01 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 93209331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).