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

C25H29ClFN3O2 — CID 93210232

IUPAC(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClFN3O2/c26-21-10-8-20(9-11-21)25(32)30-14-12-29(13-15-30)23(19-5-1-2-6-19)24(31)28-17-18-4-3-7-22(27)16-18/h3-4,7-11,16,19,23H,1-2,5-6,12-15,17H2,(H,28,31)/t23-/m0/s1
InChIKeyJJOJOQOEGXRWBR-QHCPKHFHSA-N
MW457.98 g/mol
LogP4.11
Rot. Bonds6

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

(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 93210232) has the molecular formula C25H29ClFN3O2 and a molecular weight of 457.98 g/mol. Its IUPAC name is (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID93210232
Molecular FormulaC25H29ClFN3O2
Molecular Weight457.98 g/mol
Exact Mass457.19
IUPAC Name(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H29ClFN3O2/c26-21-10-8-20(9-11-21)25(32)30-14-12-29(13-15-30)23(19-5-1-2-6-19)24(31)28-17-18-4-3-7-22(27)16-18/h3-4,7-11,16,19,23H,1-2,5-6,12-15,17H2,(H,28,31)/t23-/m0/s1
InChIKeyJJOJOQOEGXRWBR-QHCPKHFHSA-N
XLogP4.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 46024575
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 46024567
(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 93210253
2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
(2S)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210398
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842420

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide (CID 93210232) is (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide is O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is JJOJOQOEGXRWBR-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29ClFN3O2/c26-21-10-8-20(9-11-21)25(32)30-14-12-29(13-15-30)23(19-5-1-2-6-19)24(31)28-17-18-4-3-7-22(27)16-18/h3-4,7-11,16,19,23H,1-2,5-6,12-15,17H2,(H,28,31)/t23-/m0/s1.
What are the key properties of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide?
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 457.98 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 93210232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).