1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone

C18H20N4O — CID 95341515

IUPAC1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C18H20N4O/c23-18(13-20-10-7-15-4-1-2-6-17(15)20)21-9-3-5-16(12-21)22-11-8-19-14-22/h1-2,4,6-8,10-11,14,16H,3,5,9,12-13H2/t16-/m0/s1
InChIKeyPAFIATGINOEJOV-INIZCTEOSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds3

About 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone (PubChem CID 95341515) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
PubChem CID95341515
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C18H20N4O/c23-18(13-20-10-7-15-4-1-2-6-17(15)20)21-9-3-5-16(12-21)22-11-8-19-14-22/h1-2,4,6-8,10-11,14,16H,3,5,9,12-13H2/t16-/m0/s1
InChIKeyPAFIATGINOEJOV-INIZCTEOSA-N
XLogP2.70
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
CID 56821754
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
5-[1-(2-indol-1-ylacetyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540828
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 95313726
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95346883

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone (CID 95341515) is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone?
The InChIKey is PAFIATGINOEJOV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(13-20-10-7-15-4-1-2-6-17(15)20)21-9-3-5-16(12-21)22-11-8-19-14-22/h1-2,4,6-8,10-11,14,16H,3,5,9,12-13H2/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone?
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone has a molecular weight of 308.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 95341515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).