1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one

C17H27N3O — CID 110198085

IUPAC1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C17H27N3O/c1-12(2)9-16(21)19-8-4-5-15(11-19)20-13(3)10-18-17(20)14-6-7-14/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyQMOSBWDBLPFUBM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.28
Rot. Bonds4

About 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one

1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 110198085) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID110198085
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C17H27N3O/c1-12(2)9-16(21)19-8-4-5-15(11-19)20-13(3)10-18-17(20)14-6-7-14/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyQMOSBWDBLPFUBM-UHFFFAOYSA-N
XLogP3.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45186446
4,4,4-trifluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 72124250
3-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72134391
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
1-(cyclopropylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72893576
2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382111
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
1-(3,7-Dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440495
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440546
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one
CID 97440547
4-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-N,N-dimethylpiperidine-1-carboxamide
CID 110198117
N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118743379

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one (CID 110198085) is 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one is Cc1cnc(C2CC2)n1C1CCCN(C(=O)CC(C)C)C1.
What is the InChIKey of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is QMOSBWDBLPFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)9-16(21)19-8-4-5-15(11-19)20-13(3)10-18-17(20)14-6-7-14/h10,12,14-15H,4-9,11H2,1-3H3.
What are the key properties of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110198085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).