3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide

C34H41N3O2 — CID 42778020

IUPAC3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide
SMILESCC1CCCCN1CCCNC(=O)CC(c1cccc(OCc2ccccc2)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C34H41N3O2/c1-26-12-8-9-20-37(26)21-11-19-35-34(38)23-31(32-24-36(2)33-18-7-6-17-30(32)33)28-15-10-16-29(22-28)39-25-27-13-4-3-5-14-27/h3-7,10,13-18,22,24,26,31H,8-9,11-12,19-21,23,25H2,1-2H3,(H,35,38)
InChIKeyYXMFMVYGPHQIJG-UHFFFAOYSA-N
MW523.72 g/mol
LogP6.66
Rot. Bonds11

About 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide

3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide (PubChem CID 42778020) has the molecular formula C34H41N3O2 and a molecular weight of 523.72 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide
PubChem CID42778020
Molecular FormulaC34H41N3O2
Molecular Weight523.72 g/mol
Exact Mass523.32
IUPAC Name3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide
SMILESCC1CCCCN1CCCNC(=O)CC(c1cccc(OCc2ccccc2)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C34H41N3O2/c1-26-12-8-9-20-37(26)21-11-19-35-34(38)23-31(32-24-36(2)33-18-7-6-17-30(32)33)28-15-10-16-29(22-28)39-25-27-13-4-3-5-14-27/h3-7,10,13-18,22,24,26,31H,8-9,11-12,19-21,23,25H2,1-2H3,(H,35,38)
InChIKeyYXMFMVYGPHQIJG-UHFFFAOYSA-N
XLogP6.66
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064354
3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42774633
(3R)-3-(1,7-diethylindol-3-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(3-phenoxyphenyl)propanamide
CID 129428058
N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 4674943
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231
1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60600235
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 83284865

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide (CID 42778020) is 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide is CC1CCCCN1CCCNC(=O)CC(c1cccc(OCc2ccccc2)c1)c1cn(C)c2ccccc12.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is YXMFMVYGPHQIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O2/c1-26-12-8-9-20-37(26)21-11-19-35-34(38)23-31(32-24-36(2)33-18-7-6-17-30(32)33)28-15-10-16-29(22-28)39-25-27-13-4-3-5-14-27/h3-7,10,13-18,22,24,26,31H,8-9,11-12,19-21,23,25H2,1-2H3,(H,35,38).
What are the key properties of 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide?
3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide has a molecular weight of 523.72 g/mol, XLogP of 6.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 42778020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).