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

C16H25N3O — CID 110198089

IUPAC1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C16H25N3O/c1-11(2)16(20)18-8-4-5-14(10-18)19-12(3)9-17-15(19)13-6-7-13/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyXVSDLTWOOKSZTF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.89
Rot. Bonds3

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

1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 110198089) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID110198089
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C16H25N3O/c1-11(2)16(20)18-8-4-5-14(10-18)19-12(3)9-17-15(19)13-6-7-13/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyXVSDLTWOOKSZTF-UHFFFAOYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798
N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118743379
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-methylpropanamide
CID 124048746
1-[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110198069
Cyclopropyl-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124046107

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 110198089) is 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one is Cc1cnc(C2CC2)n1C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XVSDLTWOOKSZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)16(20)18-8-4-5-14(10-18)19-12(3)9-17-15(19)13-6-7-13/h9,11,13-14H,4-8,10H2,1-3H3.
What are the key properties of 1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.89, 3 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]-2-methylpropan-1-one is sourced from PubChem (CID 110198089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).