(2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide

C15H24N4O — CID 99930962

IUPAC(2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1Cc1ccnc(C(C)C)n1
InChIInChI=1S/C15H24N4O/c1-11(2)14-17-8-7-12(18-14)10-19-9-5-4-6-13(19)15(20)16-3/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyFTQVCYLVYIAVKD-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds4

About (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide

(2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 99930962) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide
PubChem CID99930962
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1Cc1ccnc(C(C)C)n1
InChIInChI=1S/C15H24N4O/c1-11(2)14-17-8-7-12(18-14)10-19-9-5-4-6-13(19)15(20)16-3/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyFTQVCYLVYIAVKD-ZDUSSCGKSA-N
XLogP1.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-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 (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide (CID 99930962) is (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide is CNC(=O)[C@@H]1CCCCN1Cc1ccnc(C(C)C)n1.
What is the InChIKey of (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is FTQVCYLVYIAVKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)14-17-8-7-12(18-14)10-19-9-5-4-6-13(19)15(20)16-3/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide?
(2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 99930962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).