4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

C25H40N4O2 — CID 86936225

IUPAC4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCCC1CCCN(C(C)(C)CNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)C1
InChIInChI=1S/C25H40N4O2/c1-5-20-9-7-13-29(17-20)25(3,4)18-26-23(30)21-11-14-28(15-12-21)24(31)27-22-10-6-8-19(2)16-22/h6,8,10,16,20-21H,5,7,9,11-15,17-18H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyILAHVLAJTHMMJN-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.26
Rot. Bonds6

About 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 86936225) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
PubChem CID86936225
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCCC1CCCN(C(C)(C)CNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)C1
InChIInChI=1S/C25H40N4O2/c1-5-20-9-7-13-29(17-20)25(3,4)18-26-23(30)21-11-14-28(15-12-21)24(31)27-22-10-6-8-19(2)16-22/h6,8,10,16,20-21H,5,7,9,11-15,17-18H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyILAHVLAJTHMMJN-UHFFFAOYSA-N
XLogP4.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea
CID 95765182
3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60568645
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 130320192
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119884497
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
(2R)-2-methyl-2-[[1-[(3-methylphenyl)carbamoyl]piperidine-4-carbonyl]amino]octanoic acid
CID 100675921
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (CID 86936225) is 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is CCC1CCCN(C(C)(C)CNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)C1.
What is the InChIKey of 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is ILAHVLAJTHMMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-5-20-9-7-13-29(17-20)25(3,4)18-26-23(30)21-11-14-28(15-12-21)24(31)27-22-10-6-8-19(2)16-22/h6,8,10,16,20-21H,5,7,9,11-15,17-18H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 428.62 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86936225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).