N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide

C24H30ClN3O2 — CID 67912324

IUPACN-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H30ClN3O2/c1-2-3-4-23(29)26-22-11-7-20(8-12-22)24(30)28-17-15-27(16-18-28)14-13-19-5-9-21(25)10-6-19/h5-12H,2-4,13-18H2,1H3,(H,26,29)
InChIKeyOQIPQUAOBGBKFG-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.47
Rot. Bonds8

About N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide

N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide (PubChem CID 67912324) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
PubChem CID67912324
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H30ClN3O2/c1-2-3-4-23(29)26-22-11-7-20(8-12-22)24(30)28-17-15-27(16-18-28)14-13-19-5-9-21(25)10-6-19/h5-12H,2-4,13-18H2,1H3,(H,26,29)
InChIKeyOQIPQUAOBGBKFG-UHFFFAOYSA-N
XLogP4.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
CID 19099498
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pentanamide
CID 4630313
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 108741133

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide?
The IUPAC name of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide (CID 67912324) is N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide?
The InChIKey is OQIPQUAOBGBKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-2-3-4-23(29)26-22-11-7-20(8-12-22)24(30)28-17-15-27(16-18-28)14-13-19-5-9-21(25)10-6-19/h5-12H,2-4,13-18H2,1H3,(H,26,29).
What are the key properties of N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide?
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide has a molecular weight of 427.98 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide is sourced from PubChem (CID 67912324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).