4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C14H22N4O — CID 113103329

IUPAC4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H22N4O/c1-12(2)17-7-9-18(10-8-17)14(19)16-11-13-5-3-4-6-15-13/h3-6,12H,7-11H2,1-2H3,(H,16,19)
InChIKeyFVAZDNFNUSNIAT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.32
Rot. Bonds3

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

4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113103329) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113103329
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H22N4O/c1-12(2)17-7-9-18(10-8-17)14(19)16-11-13-5-3-4-6-15-13/h3-6,12H,7-11H2,1-2H3,(H,16,19)
InChIKeyFVAZDNFNUSNIAT-UHFFFAOYSA-N
XLogP1.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308542
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108944337
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 113103329) is 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is CC(C)N1CCN(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FVAZDNFNUSNIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12(2)17-7-9-18(10-8-17)14(19)16-11-13-5-3-4-6-15-13/h3-6,12H,7-11H2,1-2H3,(H,16,19).
What are the key properties of 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).