1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one

C15H26N4O — CID 71927403

IUPAC1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2nccn2C)C(CC)C1
InChIInChI=1S/C15H26N4O/c1-4-12-11-19(15(20)5-2)8-6-13(12)17-10-14-16-7-9-18(14)3/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3
InChIKeyVIDJXJXJSZPSAM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds5

About 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one

1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 71927403) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID71927403
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2nccn2C)C(CC)C1
InChIInChI=1S/C15H26N4O/c1-4-12-11-19(15(20)5-2)8-6-13(12)17-10-14-16-7-9-18(14)3/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3
InChIKeyVIDJXJXJSZPSAM-UHFFFAOYSA-N
XLogP1.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
3-[(2-Methyl-1H-imidazol-1-YL)methyl]piperidine
CID 18712969
3-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63975807
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one (CID 71927403) is 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(NCc2nccn2C)C(CC)C1.
What is the InChIKey of 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is VIDJXJXJSZPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-12-11-19(15(20)5-2)8-6-13(12)17-10-14-16-7-9-18(14)3/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71927403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).