3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one

C14H24N4O — CID 104943658

IUPAC3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC[C@@H](N)c1cncn1CCC(=O)N1CCCCC1
InChIInChI=1S/C14H24N4O/c1-2-12(15)13-10-16-11-18(13)9-6-14(19)17-7-4-3-5-8-17/h10-12H,2-9,15H2,1H3/t12-/m1/s1
InChIKeyLQOUPKFMHRJFMF-GFCCVEGCSA-N
MW264.37 g/mol
LogP1.70
Rot. Bonds5

About 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one

3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 104943658) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID104943658
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC[C@@H](N)c1cncn1CCC(=O)N1CCCCC1
InChIInChI=1S/C14H24N4O/c1-2-12(15)13-10-16-11-18(13)9-6-14(19)17-7-4-3-5-8-17/h10-12H,2-9,15H2,1H3/t12-/m1/s1
InChIKeyLQOUPKFMHRJFMF-GFCCVEGCSA-N
XLogP1.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 104943623
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942516
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-butan-2-ylpropanamide
CID 104942629
N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide
CID 104942230
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
1-(azepan-1-yl)-2-chloro-2-(3-propylimidazol-4-yl)ethanone
CID 66130362
3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114721864
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 114707087
2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine
CID 104942116
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
(1R)-1-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104942643

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one (CID 104943658) is 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one is CC[C@@H](N)c1cncn1CCC(=O)N1CCCCC1.
What is the InChIKey of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is LQOUPKFMHRJFMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-12(15)13-10-16-11-18(13)9-6-14(19)17-7-4-3-5-8-17/h10-12H,2-9,15H2,1H3/t12-/m1/s1.
What are the key properties of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one?
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 104943658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).