N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

C23H30N4O — CID 113111218

IUPACN-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccc(N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-19-6-5-7-20(18-19)24-23(28)27-16-14-26(15-17-27)22-10-8-21(9-11-22)25-12-3-2-4-13-25/h5-11,18H,2-4,12-17H2,1H3,(H,24,28)
InChIKeyYTSYFJPNJPINBG-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.34
Rot. Bonds3

About N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113111218) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113111218
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccc(N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-19-6-5-7-20(18-19)24-23(28)27-16-14-26(15-17-27)22-10-8-21(9-11-22)25-12-3-2-4-13-25/h5-11,18H,2-4,12-17H2,1H3,(H,24,28)
InChIKeyYTSYFJPNJPINBG-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-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 113111218) is N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3ccc(N4CCCCC4)cc3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is YTSYFJPNJPINBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-19-6-5-7-20(18-19)24-23(28)27-16-14-26(15-17-27)22-10-8-21(9-11-22)25-12-3-2-4-13-25/h5-11,18H,2-4,12-17H2,1H3,(H,24,28).
What are the key properties of N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
N-(3-methylphenyl)-4-(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 N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).