N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C15H24N4O — CID 47238319

IUPACN-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H24N4O/c1-13(2)10-17-15(20)19-8-6-18(7-9-19)12-14-4-3-5-16-11-14/h3-5,11,13H,6-10,12H2,1-2H3,(H,17,20)
InChIKeyUXDIXBXOWHWESE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.56
Rot. Bonds4

About N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 47238319) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID47238319
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H24N4O/c1-13(2)10-17-15(20)19-8-6-18(7-9-19)12-14-4-3-5-16-11-14/h3-5,11,13H,6-10,12H2,1-2H3,(H,17,20)
InChIKeyUXDIXBXOWHWESE-UHFFFAOYSA-N
XLogP1.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124505398
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 47238319) is N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is UXDIXBXOWHWESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13(2)10-17-15(20)19-8-6-18(7-9-19)12-14-4-3-5-16-11-14/h3-5,11,13H,6-10,12H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47238319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).