(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C12H18N4O — CID 7353330

IUPAC(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-8-6-9(2)15-12(14-8)16-5-3-4-10(7-16)11(13)17/h6,10H,3-5,7H2,1-2H3,(H2,13,17)/t10-/m1/s1
InChIKeyNUAJVRMXWHYMBL-SNVBAGLBSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds2

About (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 7353330) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID7353330
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-8-6-9(2)15-12(14-8)16-5-3-4-10(7-16)11(13)17/h6,10H,3-5,7H2,1-2H3,(H2,13,17)/t10-/m1/s1
InChIKeyNUAJVRMXWHYMBL-SNVBAGLBSA-N
XLogP0.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
CID 114765128
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(6S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124942903
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
CID 63391936
1-(2,5-dimethylpyrazol-3-yl)piperidine-3-carboxamide
CID 67413079
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
[(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 96558801

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 7353330) is (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC[C@@H](C(N)=O)C2)n1.
What is the InChIKey of (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is NUAJVRMXWHYMBL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-9(2)15-12(14-8)16-5-3-4-10(7-16)11(13)17/h6,10H,3-5,7H2,1-2H3,(H2,13,17)/t10-/m1/s1.
What are the key properties of (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 7353330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).