(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide

C16H26N4O2 — CID 7436064

IUPAC(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCC[C@@H](C(=O)NCC(C)C)C2)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)9-17-15(21)13-6-5-7-20(10-13)16-18-12(3)8-14(19-16)22-4/h8,11,13H,5-7,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyWYHKYKXXSFWQKG-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.78
Rot. Bonds5

About (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide

(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 7436064) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID7436064
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCC[C@@H](C(=O)NCC(C)C)C2)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)9-17-15(21)13-6-5-7-20(10-13)16-18-12(3)8-14(19-16)22-4/h8,11,13H,5-7,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyWYHKYKXXSFWQKG-CYBMUJFWSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436060
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
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
(3S)-N-(2-bromophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443854
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
CID 124880075

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (CID 7436064) is (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is COc1cc(C)nc(N2CCC[C@@H](C(=O)NCC(C)C)C2)n1.
What is the InChIKey of (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is WYHKYKXXSFWQKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)9-17-15(21)13-6-5-7-20(10-13)16-18-12(3)8-14(19-16)22-4/h8,11,13H,5-7,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 7436064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).