2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide

C23H35ClN4O2 — CID 42842805

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H35ClN4O2/c1-26(2)12-6-11-25-22(29)21(18-7-3-4-8-18)27-13-15-28(16-14-27)23(30)19-9-5-10-20(24)17-19/h5,9-10,17-18,21H,3-4,6-8,11-16H2,1-2H3,(H,25,29)
InChIKeyHXXHUEYCTPNXQG-UHFFFAOYSA-N
MW435.01 g/mol
LogP2.72
Rot. Bonds8

About 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 42842805) has the molecular formula C23H35ClN4O2 and a molecular weight of 435.01 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
PubChem CID42842805
Molecular FormulaC23H35ClN4O2
Molecular Weight435.01 g/mol
Exact Mass434.24
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H35ClN4O2/c1-26(2)12-6-11-25-22(29)21(18-7-3-4-8-18)27-13-15-28(16-14-27)23(30)19-9-5-10-20(24)17-19/h5,9-10,17-18,21H,3-4,6-8,11-16H2,1-2H3,(H,25,29)
InChIKeyHXXHUEYCTPNXQG-UHFFFAOYSA-N
XLogP2.72
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842766
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842761
(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 93210659
2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46024838
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 42842791
(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide (CID 42842805) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is HXXHUEYCTPNXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN4O2/c1-26(2)12-6-11-25-22(29)21(18-7-3-4-8-18)27-13-15-28(16-14-27)23(30)19-9-5-10-20(24)17-19/h5,9-10,17-18,21H,3-4,6-8,11-16H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 435.01 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 42842805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).