N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C18H22N4O — CID 976952

IUPACN-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(N(C)C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-15-6-8-16(9-7-15)20(2)18(23)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h3-10H,11-14H2,1-2H3
InChIKeySKPGCJMFWXHAAB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.77
Rot. Bonds2

About N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 976952) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID976952
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(N(C)C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-15-6-8-16(9-7-15)20(2)18(23)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h3-10H,11-14H2,1-2H3
InChIKeySKPGCJMFWXHAAB-UHFFFAOYSA-N
XLogP2.77
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 976952) is N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is Cc1ccc(N(C)C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is SKPGCJMFWXHAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15-6-8-16(9-7-15)20(2)18(23)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h3-10H,11-14H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 976952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).