4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C23H26N4O2 — CID 26710672

IUPAC4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22(24-13-10-18-16-25-21-9-5-4-8-20(18)21)17-11-14-27(15-12-17)23(29)26-19-6-2-1-3-7-19/h1-9,16-17,25H,10-15H2,(H,24,28)(H,26,29)
InChIKeySRWLAZBRJCWVPW-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.77
Rot. Bonds5

About 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 26710672) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID26710672
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22(24-13-10-18-16-25-21-9-5-4-8-20(18)21)17-11-14-27(15-12-17)23(29)26-19-6-2-1-3-7-19/h1-9,16-17,25H,10-15H2,(H,24,28)(H,26,29)
InChIKeySRWLAZBRJCWVPW-UHFFFAOYSA-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

(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 26710672) is 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is SRWLAZBRJCWVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(24-13-10-18-16-25-21-9-5-4-8-20(18)21)17-11-14-27(15-12-17)23(29)26-19-6-2-1-3-7-19/h1-9,16-17,25H,10-15H2,(H,24,28)(H,26,29).
What are the key properties of 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-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 4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 26710672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).