[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone

C17H22N4O — CID 124691893

IUPAC[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-13(18)14-6-5-9-20(11-14)17(22)16-10-19-12-21(16)15-7-3-2-4-8-15/h2-4,7-8,10,12-14H,5-6,9,11,18H2,1H3/t13-,14+/m0/s1
InChIKeyIUTGEBMTUFGLIK-UONOGXRCSA-N
MW298.39 g/mol
LogP2.07
Rot. Bonds3

About [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone (PubChem CID 124691893) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
PubChem CID124691893
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-13(18)14-6-5-9-20(11-14)17(22)16-10-19-12-21(16)15-7-3-2-4-8-15/h2-4,7-8,10,12-14H,5-6,9,11,18H2,1H3/t13-,14+/m0/s1
InChIKeyIUTGEBMTUFGLIK-UONOGXRCSA-N
XLogP2.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 40791033
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-one
CID 124592278
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-one
CID 124592280
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 124690594
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone (CID 124691893) is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone is C[C@H](N)[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1.
What is the InChIKey of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The InChIKey is IUTGEBMTUFGLIK-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(18)14-6-5-9-20(11-14)17(22)16-10-19-12-21(16)15-7-3-2-4-8-15/h2-4,7-8,10,12-14H,5-6,9,11,18H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 124691893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).