(2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide

C25H31N3O2 — CID 70684436

IUPAC(2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c1-26(2)25(30)23-18-21-10-6-7-11-22(21)28(23)24(29)14-17-27-15-12-20(13-16-27)19-8-4-3-5-9-19/h3-11,20,23H,12-18H2,1-2H3/t23-/m0/s1
InChIKeyPWILLHBMQVNGKL-QHCPKHFHSA-N
MW405.54 g/mol
LogP3.30
Rot. Bonds5

About (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide

(2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 70684436) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID70684436
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c1-26(2)25(30)23-18-21-10-6-7-11-22(21)28(23)24(29)14-17-27-15-12-20(13-16-27)19-8-4-3-5-9-19/h3-11,20,23H,12-18H2,1-2H3/t23-/m0/s1
InChIKeyPWILLHBMQVNGKL-QHCPKHFHSA-N
XLogP3.30
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide (CID 70684436) is (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide is CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is PWILLHBMQVNGKL-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-26(2)25(30)23-18-21-10-6-7-11-22(21)28(23)24(29)14-17-27-15-12-20(13-16-27)19-8-4-3-5-9-19/h3-11,20,23H,12-18H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
(2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1-[3-(4-phenylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70684436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).