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

C16H24ClN3O2 — CID 113103998

IUPACN-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-12(2)11-19-6-8-20(9-7-19)16(21)18-13-4-5-15(22-3)14(17)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyFCDRGIKKGCCNOM-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.15
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113103998) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113103998
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-12(2)11-19-6-8-20(9-7-19)16(21)18-13-4-5-15(22-3)14(17)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyFCDRGIKKGCCNOM-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)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

N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate
CID 99795763
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 55695184
N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184931
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17377810

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (CID 113103998) is N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is FCDRGIKKGCCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-12(2)11-19-6-8-20(9-7-19)16(21)18-13-4-5-15(22-3)14(17)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).