N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C18H22N4O — CID 17184500

IUPACN-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-15-5-7-16(8-6-15)20-18(23)22-12-10-21(11-13-22)14-17-4-2-3-9-19-17/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyJRKGTVYJYUAVMU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.74
Rot. Bonds3

About N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 17184500) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID17184500
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-15-5-7-16(8-6-15)20-18(23)22-12-10-21(11-13-22)14-17-4-2-3-9-19-17/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyJRKGTVYJYUAVMU-UHFFFAOYSA-N
XLogP2.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 75523527
4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113108369
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 17184500) is N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is JRKGTVYJYUAVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15-5-7-16(8-6-15)20-18(23)22-12-10-21(11-13-22)14-17-4-2-3-9-19-17/h2-9H,10-14H2,1H3,(H,20,23).
What are the key properties of N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17184500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).