1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one

C19H22N4O — CID 95313767

IUPAC1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H22N4O/c24-19(8-12-21-11-7-16-4-1-2-6-18(16)21)22-10-3-5-17(14-22)23-13-9-20-15-23/h1-2,4,6-7,9,11,13,15,17H,3,5,8,10,12,14H2/t17-/m0/s1
InChIKeyKRSRNRHRPQRGQY-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.09
Rot. Bonds4

About 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one (PubChem CID 95313767) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
PubChem CID95313767
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H22N4O/c24-19(8-12-21-11-7-16-4-1-2-6-18(16)21)22-10-3-5-17(14-22)23-13-9-20-15-23/h1-2,4,6-7,9,11,13,15,17H,3,5,8,10,12,14H2/t17-/m0/s1
InChIKeyKRSRNRHRPQRGQY-KRWDZBQOSA-N
XLogP3.09
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95323599
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95346883
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 95313838
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569090
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569091

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one (CID 95313767) is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one is O=C(CCn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one?
The InChIKey is KRSRNRHRPQRGQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(8-12-21-11-7-16-4-1-2-6-18(16)21)22-10-3-5-17(14-22)23-13-9-20-15-23/h1-2,4,6-7,9,11,13,15,17H,3,5,8,10,12,14H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one?
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one has a molecular weight of 322.41 g/mol, XLogP of 3.09, 4 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]-3-indol-1-ylpropan-1-one is sourced from PubChem (CID 95313767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).