1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C16H25N3O — CID 110198101

IUPAC1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C16H25N3O/c1-3-15(20)18-8-6-13(7-9-18)11-19-12(2)10-17-16(19)14-4-5-14/h10,13-14H,3-9,11H2,1-2H3
InChIKeyCOMRUFLJMACJET-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 110198101) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID110198101
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1
InChIInChI=1S/C16H25N3O/c1-3-15(20)18-8-6-13(7-9-18)11-19-12(2)10-17-16(19)14-4-5-14/h10,13-14H,3-9,11H2,1-2H3
InChIKeyCOMRUFLJMACJET-UHFFFAOYSA-N
XLogP2.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-oxoethyl)pyrazine
CID 70784999
3-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72134391
1-(cyclopropylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72893576
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97361095
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
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-methylpropanamide
CID 124048746

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 110198101) is 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cn2c(C)cnc2C2CC2)CC1.
What is the InChIKey of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is COMRUFLJMACJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-15(20)18-8-6-13(7-9-18)11-19-12(2)10-17-16(19)14-4-5-14/h10,13-14H,3-9,11H2,1-2H3.
What are the key properties of 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110198101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).