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

C17H28N4O — CID 6557857

IUPAC(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(=O)NCCC(C)C)C2)n1
InChIInChI=1S/C17H28N4O/c1-12(2)7-8-18-16(22)15-6-5-9-21(11-15)17-19-13(3)10-14(4)20-17/h10,12,15H,5-9,11H2,1-4H3,(H,18,22)/t15-/m1/s1
InChIKeyAUFMYYBGSQSWRL-OAHLLOKOSA-N
MW304.44 g/mol
LogP2.47
Rot. Bonds5

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

(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 6557857) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID6557857
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(=O)NCCC(C)C)C2)n1
InChIInChI=1S/C17H28N4O/c1-12(2)7-8-18-16(22)15-6-5-9-21(11-15)17-19-13(3)10-14(4)20-17/h10,12,15H,5-9,11H2,1-4H3,(H,18,22)/t15-/m1/s1
InChIKeyAUFMYYBGSQSWRL-OAHLLOKOSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7436064
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 96557748
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 96557410
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
CID 124880075
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 86206865
(3R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 96557631
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(3S)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95085693

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 6557857) is (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCCC(C)C)C2)n1.
What is the InChIKey of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is AUFMYYBGSQSWRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)7-8-18-16(22)15-6-5-9-21(11-15)17-19-13(3)10-14(4)20-17/h10,12,15H,5-9,11H2,1-4H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide?
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.47, 5 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)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 6557857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).