2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C24H34N4O2 — CID 17413437

IUPAC2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H34N4O2/c29-23(25-12-9-20-17-26-22-8-4-3-7-21(20)22)18-27-15-10-19(11-16-27)24(30)28-13-5-1-2-6-14-28/h3-4,7-8,17,19,26H,1-2,5-6,9-16,18H2,(H,25,29)
InChIKeyGDWQOBKDNSWTBE-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.94
Rot. Bonds6

About 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 17413437) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID17413437
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H34N4O2/c29-23(25-12-9-20-17-26-22-8-4-3-7-21(20)22)18-27-15-10-19(11-16-27)24(30)28-13-5-1-2-6-14-28/h3-4,7-8,17,19,26H,1-2,5-6,9-16,18H2,(H,25,29)
InChIKeyGDWQOBKDNSWTBE-UHFFFAOYSA-N
XLogP2.94
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46981333
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 41118362
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 32750927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 17413437) is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is GDWQOBKDNSWTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c29-23(25-12-9-20-17-26-22-8-4-3-7-21(20)22)18-27-15-10-19(11-16-27)24(30)28-13-5-1-2-6-14-28/h3-4,7-8,17,19,26H,1-2,5-6,9-16,18H2,(H,25,29).
What are the key properties of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 17413437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).