3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

C26H33N3O3 — CID 46132436

IUPAC3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCN2CCCCC2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C26H33N3O3/c1-31-19-10-11-21(25(16-19)32-2)22(23-18-28-24-9-5-4-8-20(23)24)17-26(30)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16,18,22,28H,3,6-7,12-15,17H2,1-2H3,(H,27,30)
InChIKeyAPTNFXXYCOTNSR-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.31
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 46132436) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID46132436
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCN2CCCCC2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C26H33N3O3/c1-31-19-10-11-21(25(16-19)32-2)22(23-18-28-24-9-5-4-8-20(23)24)17-26(30)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16,18,22,28H,3,6-7,12-15,17H2,1-2H3,(H,27,30)
InChIKeyAPTNFXXYCOTNSR-UHFFFAOYSA-N
XLogP4.31
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125251
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42804608
(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93125259
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46131354
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
(3R)-1-(4-benzylpiperidin-1-yl)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propan-1-one
CID 93125242
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 93125254
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (CID 46132436) is 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is COc1ccc(C(CC(=O)NCCN2CCCCC2)c2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is APTNFXXYCOTNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-31-19-10-11-21(25(16-19)32-2)22(23-18-28-24-9-5-4-8-20(23)24)17-26(30)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16,18,22,28H,3,6-7,12-15,17H2,1-2H3,(H,27,30).
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 46132436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).