N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide

C14H24N4O — CID 72891266

IUPACN-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCn2ccnc2)C1
InChIInChI=1S/C14H24N4O/c1-17-8-2-3-13(11-17)4-5-14(19)16-7-10-18-9-6-15-12-18/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,16,19)
InChIKeyNUSUDRGRICSZIL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.12
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide

N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide (PubChem CID 72891266) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide
PubChem CID72891266
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCn2ccnc2)C1
InChIInChI=1S/C14H24N4O/c1-17-8-2-3-13(11-17)4-5-14(19)16-7-10-18-9-6-15-12-18/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,16,19)
InChIKeyNUSUDRGRICSZIL-UHFFFAOYSA-N
XLogP1.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
(4aS*,8aR*)-6-(1H-imidazol-2-ylmethyl)-1-isobutyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906800
1-(1-Imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71894674
8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 72871968
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72898854
1-(cyclopentylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72913891
1-[3-[(1-Methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 110269228
N-hydroxy-N'-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)propanediamide
CID 178311211
1H-Imidazole, 1-(cyclohexylcarbonyl)-
CID 557953

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide (CID 72891266) is N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide is CN1CCCC(CCC(=O)NCCn2ccnc2)C1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide?
The InChIKey is NUSUDRGRICSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17-8-2-3-13(11-17)4-5-14(19)16-7-10-18-9-6-15-12-18/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,16,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide?
N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-(1-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 72891266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).