N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide

C19H22ClN3O2 — CID 110293180

IUPACN-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCOc1ccccc1C1CN(C(=O)Nc2cccc(Cl)c2)CCN1C
InChIInChI=1S/C19H22ClN3O2/c1-22-10-11-23(19(24)21-15-7-5-6-14(20)12-15)13-17(22)16-8-3-4-9-18(16)25-2/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyWFRAHJLWCHLNJV-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.87
Rot. Bonds3

About N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide

N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 110293180) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID110293180
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCOc1ccccc1C1CN(C(=O)Nc2cccc(Cl)c2)CCN1C
InChIInChI=1S/C19H22ClN3O2/c1-22-10-11-23(19(24)21-15-7-5-6-14(20)12-15)13-17(22)16-8-3-4-9-18(16)25-2/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyWFRAHJLWCHLNJV-UHFFFAOYSA-N
XLogP3.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 110418645
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide (CID 110293180) is N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide is COc1ccccc1C1CN(C(=O)Nc2cccc(Cl)c2)CCN1C.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is WFRAHJLWCHLNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-10-11-23(19(24)21-15-7-5-6-14(20)12-15)13-17(22)16-8-3-4-9-18(16)25-2/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 110293180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).