(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone

C17H23N5O — CID 97197752

IUPAC(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCC(C)c1cc(N2CCC[C@H](C(=O)c3nccn3C)C2)ncn1
InChIInChI=1S/C17H23N5O/c1-12(2)14-9-15(20-11-19-14)22-7-4-5-13(10-22)16(23)17-18-6-8-21(17)3/h6,8-9,11-13H,4-5,7,10H2,1-3H3/t13-/m0/s1
InChIKeyFMPPZUYFHIBXCO-ZDUSSCGKSA-N
MW313.41 g/mol
LogP2.43
Rot. Bonds4

About (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 97197752) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID97197752
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCC(C)c1cc(N2CCC[C@H](C(=O)c3nccn3C)C2)ncn1
InChIInChI=1S/C17H23N5O/c1-12(2)14-9-15(20-11-19-14)22-7-4-5-13(10-22)16(23)17-18-6-8-21(17)3/h6,8-9,11-13H,4-5,7,10H2,1-3H3/t13-/m0/s1
InChIKeyFMPPZUYFHIBXCO-ZDUSSCGKSA-N
XLogP2.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
CID 72850551
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 135098500
(3S)-N-cyclopropyl-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95476929
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
N-[[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 62592540
[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 176501282
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860
(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
CID 70751141
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone (CID 97197752) is (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone is CC(C)c1cc(N2CCC[C@H](C(=O)c3nccn3C)C2)ncn1.
What is the InChIKey of (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is FMPPZUYFHIBXCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(2)14-9-15(20-11-19-14)22-7-4-5-13(10-22)16(23)17-18-6-8-21(17)3/h6,8-9,11-13H,4-5,7,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 313.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 97197752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).