1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide

C20H28N4O2 — CID 72926271

IUPAC1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C20H28N4O2/c1-14-16(17-8-4-5-9-18(17)22-14)10-11-21-19(25)15-7-6-12-24(13-15)20(26)23(2)3/h4-5,8-9,15,22H,6-7,10-13H2,1-3H3,(H,21,25)
InChIKeyKGEJXQJEAICNFG-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.53
Rot. Bonds4

About 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 72926271) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID72926271
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C20H28N4O2/c1-14-16(17-8-4-5-9-18(17)22-14)10-11-21-19(25)15-7-6-12-24(13-15)20(26)23(2)3/h4-5,8-9,15,22H,6-7,10-13H2,1-3H3,(H,21,25)
InChIKeyKGEJXQJEAICNFG-UHFFFAOYSA-N
XLogP2.53
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-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

3-(azepan-1-ylmethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 86888651
1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 126470752
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 118776913
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
(3S)-3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97200908
1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72888668
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide (CID 72926271) is 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is KGEJXQJEAICNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-16(17-8-4-5-9-18(17)22-14)10-11-21-19(25)15-7-6-12-24(13-15)20(26)23(2)3/h4-5,8-9,15,22H,6-7,10-13H2,1-3H3,(H,21,25).
What are the key properties of 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 72926271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).