N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C20H26N4O — CID 48637215

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCN(c3ccncc3)CC2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-16-3-4-18(17(2)15-16)5-10-22-20(25)24-13-11-23(12-14-24)19-6-8-21-9-7-19/h3-4,6-9,15H,5,10-14H2,1-2H3,(H,22,25)
InChIKeyKQUIFXHUAAWZQM-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 48637215) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID48637215
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCN(c3ccncc3)CC2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-16-3-4-18(17(2)15-16)5-10-22-20(25)24-13-11-23(12-14-24)19-6-8-21-9-7-19/h3-4,6-9,15H,5,10-14H2,1-2H3,(H,22,25)
InChIKeyKQUIFXHUAAWZQM-UHFFFAOYSA-N
XLogP2.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 48637282
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-[2-(2-chlorophenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60595878
4-(adamantane-1-carbonyl)-N-[2-(2,4-dimethylphenyl)ethyl]piperazine-1-carboxamide
CID 60590333
4-(3-chloro-4-ethylphenyl)-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 138042782
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60551137
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 48637215) is N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide is Cc1ccc(CCNC(=O)N2CCN(c3ccncc3)CC2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is KQUIFXHUAAWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-3-4-18(17(2)15-16)5-10-22-20(25)24-13-11-23(12-14-24)19-6-8-21-9-7-19/h3-4,6-9,15H,5,10-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 48637215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).