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

C23H31N3O2 — CID 109145805

IUPAC4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C23H31N3O2/c27-22(24-14-13-18-15-25-21-8-4-3-7-20(18)21)16-9-11-17(12-10-16)23(28)26-19-5-1-2-6-19/h3-4,7-8,15-17,19,25H,1-2,5-6,9-14H2,(H,24,27)(H,26,28)
InChIKeyHUERLTVDVXZICS-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.69
Rot. Bonds6

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

4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109145805) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109145805
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C23H31N3O2/c27-22(24-14-13-18-15-25-21-8-4-3-7-20(18)21)16-9-11-17(12-10-16)23(28)26-19-5-1-2-6-19/h3-4,7-8,15-17,19,25H,1-2,5-6,9-14H2,(H,24,27)(H,26,28)
InChIKeyHUERLTVDVXZICS-UHFFFAOYSA-N
XLogP3.69
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 56722736
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
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-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
CID 110853397
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide (CID 109145805) is 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is HUERLTVDVXZICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22(24-14-13-18-15-25-21-8-4-3-7-20(18)21)16-9-11-17(12-10-16)23(28)26-19-5-1-2-6-19/h3-4,7-8,15-17,19,25H,1-2,5-6,9-14H2,(H,24,27)(H,26,28).
What are the key properties of 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).