2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

C19H22N4O — CID 95349017

IUPAC2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C19H22N4O/c1-15-20-9-12-23(15)17-6-4-10-22(13-17)19(24)14-21-11-8-16-5-2-3-7-18(16)21/h2-3,5,7-9,11-12,17H,4,6,10,13-14H2,1H3/t17-/m0/s1
InChIKeyMHCXWZXUPRKWLK-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.01
Rot. Bonds3

About 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95349017) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95349017
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C19H22N4O/c1-15-20-9-12-23(15)17-6-4-10-22(13-17)19(24)14-21-11-8-16-5-2-3-7-18(16)21/h2-3,5,7-9,11-12,17H,4,6,10,13-14H2,1H3/t17-/m0/s1
InChIKeyMHCXWZXUPRKWLK-KRWDZBQOSA-N
XLogP3.01
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-1-[2-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95606427
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
CID 56821754
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95340408
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
5-[1-(2-indol-1-ylacetyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540828

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (CID 95349017) is 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is Cc1nccn1[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1.
What is the InChIKey of 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is MHCXWZXUPRKWLK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-20-9-12-23(15)17-6-4-10-22(13-17)19(24)14-21-11-8-16-5-2-3-7-18(16)21/h2-3,5,7-9,11-12,17H,4,6,10,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95349017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).