(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone

C23H27N3O — CID 158771523

IUPAC(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
SMILESO=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H27N3O/c27-23(20-17-25-21-12-6-5-11-19(20)21)22(18-9-3-1-4-10-18)24-13-16-26-14-7-2-8-15-26/h1,3-6,9-12,17,22,24-25H,2,7-8,13-16H2/t22-/m1/s1
InChIKeyBWJFGHZXHMHEFI-JOCHJYFZSA-N
MW361.49 g/mol
LogP4.17
Rot. Bonds7

About (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone

(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone (PubChem CID 158771523) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
PubChem CID158771523
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
SMILESO=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H27N3O/c27-23(20-17-25-21-12-6-5-11-19(20)21)22(18-9-3-1-4-10-18)24-13-16-26-14-7-2-8-15-26/h1,3-6,9-12,17,22,24-25H,2,7-8,13-16H2/t22-/m1/s1
InChIKeyBWJFGHZXHMHEFI-JOCHJYFZSA-N
XLogP4.17
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
CID 117066232
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-6-carboxamide
CID 158666863
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
CID 139422871
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
(2S)-1-(1H-indol-3-yl)-2-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-phenylethanone
CID 97219918
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 154834077

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone (CID 158771523) is (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone is O=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1)c1ccccc1.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
The InChIKey is BWJFGHZXHMHEFI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(20-17-25-21-12-6-5-11-19(20)21)22(18-9-3-1-4-10-18)24-13-16-26-14-7-2-8-15-26/h1,3-6,9-12,17,22,24-25H,2,7-8,13-16H2/t22-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone has a molecular weight of 361.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone is sourced from PubChem (CID 158771523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).