[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone

C16H21N5O — CID 74242488

IUPAC[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CCC(c3ncc[nH]3)CC2)cn1
InChIInChI=1S/C16H21N5O/c1-11(2)14-19-9-13(10-20-14)16(22)21-7-3-12(4-8-21)15-17-5-6-18-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyZYHPYSPLTXKYOQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.34
Rot. Bonds3

About [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone

[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 74242488) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID74242488
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CCC(c3ncc[nH]3)CC2)cn1
InChIInChI=1S/C16H21N5O/c1-11(2)14-19-9-13(10-20-14)16(22)21-7-3-12(4-8-21)15-17-5-6-18-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyZYHPYSPLTXKYOQ-UHFFFAOYSA-N
XLogP2.34
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481474
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110725789
(2S)-2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-methylpentan-1-one
CID 110482490
(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 155955172
(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 166214756
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 70741466
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110483362
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone (CID 74242488) is [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone is CC(C)c1ncc(C(=O)N2CCC(c3ncc[nH]3)CC2)cn1.
What is the InChIKey of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is ZYHPYSPLTXKYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11(2)14-19-9-13(10-20-14)16(22)21-7-3-12(4-8-21)15-17-5-6-18-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 74242488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).