4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C15H24N4O — CID 113108387

IUPAC4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-10-8-18(9-11-19)14(20)17-12-13-6-4-5-7-16-13/h4-7H,8-12H2,1-3H3,(H,17,20)
InChIKeyNHOZAZBBKBVJQW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds2

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

4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108387) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113108387
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-10-8-18(9-11-19)14(20)17-12-13-6-4-5-7-16-13/h4-7H,8-12H2,1-3H3,(H,17,20)
InChIKeyNHOZAZBBKBVJQW-UHFFFAOYSA-N
XLogP1.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
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-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
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
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 113108387) is 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is CC(C)(C)N1CCN(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NHOZAZBBKBVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)19-10-8-18(9-11-19)14(20)17-12-13-6-4-5-7-16-13/h4-7H,8-12H2,1-3H3,(H,17,20).
What are the key properties of 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).