4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C26H32N4O3 — CID 55790068

IUPAC4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H32N4O3/c1-29(2)26(32)30-14-12-19(13-15-30)25(31)28-16-22(18-8-10-20(33-3)11-9-18)23-17-27-24-7-5-4-6-21(23)24/h4-11,17,19,22,27H,12-16H2,1-3H3,(H,28,31)
InChIKeyJANVEPWMHRRSRO-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.82
Rot. Bonds6

About 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55790068) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55790068
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H32N4O3/c1-29(2)26(32)30-14-12-19(13-15-30)25(31)28-16-22(18-8-10-20(33-3)11-9-18)23-17-27-24-7-5-4-6-21(23)24/h4-11,17,19,22,27H,12-16H2,1-3H3,(H,28,31)
InChIKeyJANVEPWMHRRSRO-UHFFFAOYSA-N
XLogP3.82
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 52508334
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
3-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681087
1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43007534
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 16577880
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558536
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 4835102
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
(2R,4S)-4-hydroxy-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 124587680
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55790068) is 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is COc1ccc(C(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is JANVEPWMHRRSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-29(2)26(32)30-14-12-19(13-15-30)25(31)28-16-22(18-8-10-20(33-3)11-9-18)23-17-27-24-7-5-4-6-21(23)24/h4-11,17,19,22,27H,12-16H2,1-3H3,(H,28,31).
What are the key properties of 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55790068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).