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

C16H26N4O2 — CID 7436060

IUPAC(3R)-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-WCQYABFASA-N
MW306.41 g/mol
LogP1.92
Rot. Bonds5

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

(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 7436060) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID7436060
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R)-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-WCQYABFASA-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 (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7436064
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
CID 124880075
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 649779
(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1443860
(3R)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443903
(3S)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443906
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3S)-N-(2-bromophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443854
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 6487773

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 7436060) is (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-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 (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is FNWVYHYOJUGYRN-WCQYABFASA-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 (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-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 (3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 7436060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).