1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide

C16H26N4O — CID 80632237

IUPAC1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)NCc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C16H26N4O/c1-16(2,3)19-10-12-6-7-14(18-9-12)20-8-4-5-13(11-20)15(17)21/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3,(H2,17,21)
InChIKeyJOLSWOHVTVUCEL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.67
Rot. Bonds4

About 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 80632237) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID80632237
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)NCc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C16H26N4O/c1-16(2,3)19-10-12-6-7-14(18-9-12)20-8-4-5-13(11-20)15(17)21/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3,(H2,17,21)
InChIKeyJOLSWOHVTVUCEL-UHFFFAOYSA-N
XLogP1.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide (CID 80632237) is 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide is CC(C)(C)NCc1ccc(N2CCCC(C(N)=O)C2)nc1.
What is the InChIKey of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is JOLSWOHVTVUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)19-10-12-6-7-14(18-9-12)20-8-4-5-13(11-20)15(17)21/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3,(H2,17,21).
What are the key properties of 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 80632237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).