(3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

C16H26N4O2 — CID 7436062

IUPAC(3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)cc(OC)n2)C1
InChIInChI=1S/C16H26N4O2/c1-5-11(2)17-15(21)13-7-6-8-20(10-13)16-18-12(3)9-14(19-16)22-4/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)/t11-,13-/m0/s1
InChIKeyFNWVYHYOJUGYRN-AAEUAGOBSA-N
MW306.41 g/mol
LogP1.92
Rot. Bonds5

About (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

(3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 7436062) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID7436062
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)cc(OC)n2)C1
InChIInChI=1S/C16H26N4O2/c1-5-11(2)17-15(21)13-7-6-8-20(10-13)16-18-12(3)9-14(19-16)22-4/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)/t11-,13-/m0/s1
InChIKeyFNWVYHYOJUGYRN-AAEUAGOBSA-N
XLogP1.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)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 (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 7436062) is (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)cc(OC)n2)C1.
What is the InChIKey of (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is FNWVYHYOJUGYRN-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-11(2)17-15(21)13-7-6-8-20(10-13)16-18-12(3)9-14(19-16)22-4/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)/t11-,13-/m0/s1.
What are the key properties of (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
(3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 7436062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).