3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one

C20H24N4O — CID 95323599

IUPAC3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccn1[C@@H]1CCCN(C(=O)CCn2ccc3ccccc32)C1
InChIInChI=1S/C20H24N4O/c1-16-21-10-14-24(16)18-6-4-11-23(15-18)20(25)9-13-22-12-8-17-5-2-3-7-19(17)22/h2-3,5,7-8,10,12,14,18H,4,6,9,11,13,15H2,1H3/t18-/m1/s1
InChIKeyBHCYJHMSKCJPSB-GOSISDBHSA-N
MW336.44 g/mol
LogP3.40
Rot. Bonds4

About 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one

3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 95323599) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID95323599
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccn1[C@@H]1CCCN(C(=O)CCn2ccc3ccccc32)C1
InChIInChI=1S/C20H24N4O/c1-16-21-10-14-24(16)18-6-4-11-23(15-18)20(25)9-13-22-12-8-17-5-2-3-7-19(17)22/h2-3,5,7-8,10,12,14,18H,4,6,9,11,13,15H2,1H3/t18-/m1/s1
InChIKeyBHCYJHMSKCJPSB-GOSISDBHSA-N
XLogP3.40
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
CID 95340151
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95346856
3-methyl-1-[2-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95606427
(3S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95336243
3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95338418
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
CID 95340546

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one (CID 95323599) is 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one is Cc1nccn1[C@@H]1CCCN(C(=O)CCn2ccc3ccccc32)C1.
What is the InChIKey of 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BHCYJHMSKCJPSB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-21-10-14-24(16)18-6-4-11-23(15-18)20(25)9-13-22-12-8-17-5-2-3-7-19(17)22/h2-3,5,7-8,10,12,14,18H,4,6,9,11,13,15H2,1H3/t18-/m1/s1.
What are the key properties of 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 336.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95323599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).