1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

C23H31N3O2 — CID 113005765

IUPAC1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H31N3O2/c1-2-19-7-5-6-12-26(19)23(28)17-10-13-25(14-11-17)22(27)15-18-16-24-21-9-4-3-8-20(18)21/h3-4,8-9,16-17,19,24H,2,5-7,10-15H2,1H3
InChIKeyIMWISUKOCKPWDY-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 113005765) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID113005765
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H31N3O2/c1-2-19-7-5-6-12-26(19)23(28)17-10-13-25(14-11-17)22(27)15-18-16-24-21-9-4-3-8-20(18)21/h3-4,8-9,16-17,19,24H,2,5-7,10-15H2,1H3
InChIKeyIMWISUKOCKPWDY-UHFFFAOYSA-N
XLogP3.74
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113003701
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 113005765) is 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is CCC1CCCCN1C(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is IMWISUKOCKPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-19-7-5-6-12-26(19)23(28)17-10-13-25(14-11-17)22(27)15-18-16-24-21-9-4-3-8-20(18)21/h3-4,8-9,16-17,19,24H,2,5-7,10-15H2,1H3.
What are the key properties of 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 381.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 113005765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).