3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

C25H29N3O3 — CID 46131354

IUPAC3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(CC(c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12)NCCN1CCCCC1
InChIInChI=1S/C25H29N3O3/c29-25(26-10-13-28-11-4-1-5-12-28)15-20(18-8-9-23-24(14-18)31-17-30-23)21-16-27-22-7-3-2-6-19(21)22/h2-3,6-9,14,16,20,27H,1,4-5,10-13,15,17H2,(H,26,29)
InChIKeyHTQTZBLQPJBDLX-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.02
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 46131354) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID46131354
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(CC(c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12)NCCN1CCCCC1
InChIInChI=1S/C25H29N3O3/c29-25(26-10-13-28-11-4-1-5-12-28)15-20(18-8-9-23-24(14-18)31-17-30-23)21-16-27-22-7-3-2-6-19(21)22/h2-3,6-9,14,16,20,27H,1,4-5,10-13,15,17H2,(H,26,29)
InChIKeyHTQTZBLQPJBDLX-UHFFFAOYSA-N
XLogP4.02
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 93122632
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292
ethyl 4-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
CID 93122139
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-yl)propanoic acid
CID 42656837
[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium
CID 8022812
3-(4-fluorophenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635094
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (CID 46131354) is 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is O=C(CC(c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12)NCCN1CCCCC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is HTQTZBLQPJBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-25(26-10-13-28-11-4-1-5-12-28)15-20(18-8-9-23-24(14-18)31-17-30-23)21-16-27-22-7-3-2-6-19(21)22/h2-3,6-9,14,16,20,27H,1,4-5,10-13,15,17H2,(H,26,29).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 46131354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).