(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide

C25H37ClN4O2 — CID 93210326

IUPAC(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H37ClN4O2/c26-22-10-6-9-21(19-22)25(32)30-17-15-29(16-18-30)23(20-7-2-3-8-20)24(31)27-11-14-28-12-4-1-5-13-28/h6,9-10,19-20,23H,1-5,7-8,11-18H2,(H,27,31)/t23-/m1/s1
InChIKeyFDQIHZODWWVVAZ-HSZRJFAPSA-N
MW461.05 g/mol
LogP3.26
Rot. Bonds7

About (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide

(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 93210326) has the molecular formula C25H37ClN4O2 and a molecular weight of 461.05 g/mol. Its IUPAC name is (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID93210326
Molecular FormulaC25H37ClN4O2
Molecular Weight461.05 g/mol
Exact Mass460.26
IUPAC Name(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H37ClN4O2/c26-22-10-6-9-21(19-22)25(32)30-17-15-29(16-18-30)23(20-7-2-3-8-20)24(31)27-11-14-28-12-4-1-5-13-28/h6,9-10,19-20,23H,1-5,7-8,11-18H2,(H,27,31)/t23-/m1/s1
InChIKeyFDQIHZODWWVVAZ-HSZRJFAPSA-N
XLogP3.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.05
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
CID 42842805
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210274
2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 24719977
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461
(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024760
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 93210659

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide (CID 93210326) is (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide is O=C(NCCN1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is FDQIHZODWWVVAZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H37ClN4O2/c26-22-10-6-9-21(19-22)25(32)30-17-15-29(16-18-30)23(20-7-2-3-8-20)24(31)27-11-14-28-12-4-1-5-13-28/h6,9-10,19-20,23H,1-5,7-8,11-18H2,(H,27,31)/t23-/m1/s1.
What are the key properties of (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide?
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 461.05 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 93210326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).