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

C20H24N4O — CID 95327617

IUPAC3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccn1[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H24N4O/c1-15-21-10-12-24(15)17-5-4-11-23(14-17)20(25)9-8-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,10,12-13,17,22H,4-5,8-9,11,14H2,1H3/t17-/m1/s1
InChIKeyHYYKIDUYNTZGLO-QGZVFWFLSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds4

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

3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 95327617) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID95327617
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccn1[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H24N4O/c1-15-21-10-12-24(15)17-5-4-11-23(14-17)20(25)9-8-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,10,12-13,17,22H,4-5,8-9,11,14H2,1H3/t17-/m1/s1
InChIKeyHYYKIDUYNTZGLO-QGZVFWFLSA-N
XLogP3.47
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280536
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97280561
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 155983538
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95323599
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
CID 95340151
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one (CID 95327617) is 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one is Cc1nccn1[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HYYKIDUYNTZGLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-21-10-12-24(15)17-5-4-11-23(14-17)20(25)9-8-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,10,12-13,17,22H,4-5,8-9,11,14H2,1H3/t17-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one?
3-(1H-indol-3-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 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95327617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).