(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one

C23H29N3O — CID 97356398

IUPAC(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
SMILESCN(C)N1C(=O)[C@@](CCN2CCCCC2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H29N3O/c1-24(2)26-21-14-8-7-13-20(21)23(22(26)27,19-11-5-3-6-12-19)15-18-25-16-9-4-10-17-25/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3/t23-/m0/s1
InChIKeyRCNWGRRPIQNGGP-QHCPKHFHSA-N
MW363.50 g/mol
LogP3.67
Rot. Bonds5

About (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one

(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one (PubChem CID 97356398) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
PubChem CID97356398
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
SMILESCN(C)N1C(=O)[C@@](CCN2CCCCC2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H29N3O/c1-24(2)26-21-14-8-7-13-20(21)23(22(26)27,19-11-5-3-6-12-19)15-18-25-16-9-4-10-17-25/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3/t23-/m0/s1
InChIKeyRCNWGRRPIQNGGP-QHCPKHFHSA-N
XLogP3.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356397
(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one
CID 97356417
3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one
CID 28933
1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
CID 139786250
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
4-[4-[2-(1-ethyl-2-oxo-3-phenylindol-3-yl)ethyl]piperazin-1-yl]benzonitrile
CID 57040062
(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 3063422
3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one
CID 15284413
2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 57118627
5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride
CID 139786241
3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400584
(E)-but-2-enedioic acid;3-ethoxy-3-phenyl-1-(2-piperidin-1-ylethyl)indol-2-one;hydrate
CID 20838274

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one?
The IUPAC name of (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one (CID 97356398) is (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one.
What is the SMILES notation for (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one?
The canonical SMILES for (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one is CN(C)N1C(=O)[C@@](CCN2CCCCC2)(c2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one?
The InChIKey is RCNWGRRPIQNGGP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O/c1-24(2)26-21-14-8-7-13-20(21)23(22(26)27,19-11-5-3-6-12-19)15-18-25-16-9-4-10-17-25/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3/t23-/m0/s1.
What are the key properties of (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one?
(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one has a molecular weight of 363.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one is sourced from PubChem (CID 97356398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).