4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

C23H30N4O — CID 113111071

IUPAC4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-19-7-3-4-8-22(19)26-15-17-27(18-16-26)23(28)24-20-9-11-21(12-10-20)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,24,28)
InChIKeyOSLNTDZFXLZLGI-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.34
Rot. Bonds3

About 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113111071) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113111071
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-19-7-3-4-8-22(19)26-15-17-27(18-16-26)23(28)24-20-9-11-21(12-10-20)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,24,28)
InChIKeyOSLNTDZFXLZLGI-UHFFFAOYSA-N
XLogP4.34
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 113111071) is 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is Cc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is OSLNTDZFXLZLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-19-7-3-4-8-22(19)26-15-17-27(18-16-26)23(28)24-20-9-11-21(12-10-20)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,24,28).
What are the key properties of 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).