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

C17H26ClN3O2 — CID 17183829

IUPACN-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(2)6-7-20-8-10-21(11-9-20)17(22)19-15-12-14(18)4-5-16(15)23-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,22)
InChIKeyADDIPTWDQXRCMQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.54
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 17183829) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID17183829
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(2)6-7-20-8-10-21(11-9-20)17(22)19-15-12-14(18)4-5-16(15)23-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,22)
InChIKeyADDIPTWDQXRCMQ-UHFFFAOYSA-N
XLogP3.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 4984483
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
CID 108944601
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide (CID 17183829) is N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(CCC(C)C)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is ADDIPTWDQXRCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13(2)6-7-20-8-10-21(11-9-20)17(22)19-15-12-14(18)4-5-16(15)23-3/h4-5,12-13H,6-11H2,1-3H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 339.87 g/mol, XLogP of 3.54, 5 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-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 17183829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).