(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone

C13H19N3O — CID 118902078

IUPAC(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone
SMILESCC(C)C1CCN(C(=O)c2ncccn2)CC1
InChIInChI=1S/C13H19N3O/c1-10(2)11-4-8-16(9-5-11)13(17)12-14-6-3-7-15-12/h3,6-7,10-11H,4-5,8-9H2,1-2H3
InChIKeyCHAYQTSIDPYENS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds2

About (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone

(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone (PubChem CID 118902078) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone
PubChem CID118902078
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone
SMILESCC(C)C1CCN(C(=O)c2ncccn2)CC1
InChIInChI=1S/C13H19N3O/c1-10(2)11-4-8-16(9-5-11)13(17)12-14-6-3-7-15-12/h3,6-7,10-11H,4-5,8-9H2,1-2H3
InChIKeyCHAYQTSIDPYENS-UHFFFAOYSA-N
XLogP1.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
CID 113354315
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
(1-chloroisoquinolin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 106766342
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone (CID 118902078) is (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone is CC(C)C1CCN(C(=O)c2ncccn2)CC1.
What is the InChIKey of (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone?
The InChIKey is CHAYQTSIDPYENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(2)11-4-8-16(9-5-11)13(17)12-14-6-3-7-15-12/h3,6-7,10-11H,4-5,8-9H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone?
(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 118902078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).