N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

C21H26ClN3O2 — CID 113110122

IUPACN-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-10-9-18(22)16-19(20)23-21(26)25-14-12-24(13-15-25)11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,23,26)
InChIKeyOKZRHUBOOKUDHN-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.13
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110122) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110122
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-10-9-18(22)16-19(20)23-21(26)25-14-12-24(13-15-25)11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,23,26)
InChIKeyOKZRHUBOOKUDHN-UHFFFAOYSA-N
XLogP4.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 55696937
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110122) is N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is OKZRHUBOOKUDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-20-10-9-18(22)16-19(20)23-21(26)25-14-12-24(13-15-25)11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).