1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one

C16H27N3O — CID 110203834

IUPAC1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C16H27N3O/c1-5-16(20)18-8-6-7-14(11-18)9-15-17-10-13(4)19(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3
InChIKeyOTOMCWVGEMOMFQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.96
Rot. Bonds4

About 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one

1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 110203834) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID110203834
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C16H27N3O/c1-5-16(20)18-8-6-7-14(11-18)9-15-17-10-13(4)19(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3
InChIKeyOTOMCWVGEMOMFQ-UHFFFAOYSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72134391
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97361095
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
1-{3-[(1-Methylimidazol-2-YL)methyl]piperidin-1-YL}ethanone
CID 110269228
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
1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidino}-2-cyclopentyl-1-ethanone
CID 124047120
1-Cyclohexanecarbonyl-4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-YL]methyl}piperidine
CID 124078738
3-cyclopentyl-N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propanamide
CID 91923969

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one (CID 110203834) is 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1.
What is the InChIKey of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is OTOMCWVGEMOMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-16(20)18-8-6-7-14(11-18)9-15-17-10-13(4)19(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3.
What are the key properties of 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 277.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110203834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).