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

C23H30N4O — CID 113111145

IUPACN-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-19-7-3-4-8-22(19)24-23(28)27-17-15-26(16-18-27)21-11-9-20(10-12-21)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,24,28)
InChIKeyBAPATTTTZLRGDN-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.34
Rot. Bonds3

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

N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113111145) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113111145
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-19-7-3-4-8-22(19)24-23(28)27-17-15-26(16-18-27)21-11-9-20(10-12-21)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,24,28)
InChIKeyBAPATTTTZLRGDN-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

N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
CID 53189510
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
N-(2,3-dimethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3839304

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 113111145) is N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is BAPATTTTZLRGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-19-7-3-4-8-22(19)24-23(28)27-17-15-26(16-18-27)21-11-9-20(10-12-21)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 N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
N-(2-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-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).