phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate

C23H25N3O3 — CID 175180660

IUPACphenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C23H25N3O3/c27-22(24-14-13-17-16-25-20-11-5-4-10-19(17)20)21-12-6-7-15-26(21)23(28)29-18-8-2-1-3-9-18/h1-5,8-11,16,21,25H,6-7,12-15H2,(H,24,27)
InChIKeyBACIRKDSSGPQLX-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.88
Rot. Bonds5

About phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate

phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 175180660) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID175180660
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namephenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C23H25N3O3/c27-22(24-14-13-17-16-25-20-11-5-4-10-19(17)20)21-12-6-7-15-26(21)23(28)29-18-8-2-1-3-9-18/h1-5,8-11,16,21,25H,6-7,12-15H2,(H,24,27)
InChIKeyBACIRKDSSGPQLX-UHFFFAOYSA-N
XLogP3.88
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate
CID 175180665
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate (CID 175180660) is phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate is O=C(NCCc1c[nH]c2ccccc12)C1CCCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is BACIRKDSSGPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(24-14-13-17-16-25-20-11-5-4-10-19(17)20)21-12-6-7-15-26(21)23(28)29-18-8-2-1-3-9-18/h1-5,8-11,16,21,25H,6-7,12-15H2,(H,24,27).
What are the key properties of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate?
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 175180660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).