(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C23H26N4O2 — CID 40972160

IUPAC(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c28-22(24-13-12-17-15-25-21-11-5-4-10-20(17)21)18-7-6-14-27(16-18)23(29)26-19-8-2-1-3-9-19/h1-5,8-11,15,18,25H,6-7,12-14,16H2,(H,24,28)(H,26,29)/t18-/m0/s1
InChIKeyUVTFHKAPLSKSCP-SFHVURJKSA-N
MW390.49 g/mol
LogP3.77
Rot. Bonds5

About (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 40972160) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID40972160
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c28-22(24-13-12-17-15-25-21-11-5-4-10-20(17)21)18-7-6-14-27(16-18)23(29)26-19-8-2-1-3-9-19/h1-5,8-11,15,18,25H,6-7,12-14,16H2,(H,24,28)(H,26,29)/t18-/m0/s1
InChIKeyUVTFHKAPLSKSCP-SFHVURJKSA-N
XLogP3.77
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552766
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41130807

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 40972160) is (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is UVTFHKAPLSKSCP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(24-13-12-17-15-25-21-11-5-4-10-20(17)21)18-7-6-14-27(16-18)23(29)26-19-8-2-1-3-9-19/h1-5,8-11,15,18,25H,6-7,12-14,16H2,(H,24,28)(H,26,29)/t18-/m0/s1.
What are the key properties of (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 40972160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).