4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide

C18H20ClN3O — CID 851976

IUPAC4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H20ClN3O/c1-14-3-2-4-16(13-14)20-18(23)22-11-9-21(10-12-22)17-7-5-15(19)6-8-17/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyOBCZNEIMVDDOGA-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.00
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 851976) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID851976
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H20ClN3O/c1-14-3-2-4-16(13-14)20-18(23)22-11-9-21(10-12-22)17-7-5-15(19)6-8-17/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyOBCZNEIMVDDOGA-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 19654424
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509937
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 851976) is 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is OBCZNEIMVDDOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-14-3-2-4-16(13-14)20-18(23)22-11-9-21(10-12-22)17-7-5-15(19)6-8-17/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 851976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).