1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide

C24H37N3O2 — CID 166322196

IUPAC1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCC1CCC(CNC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-3-19-8-10-21(11-9-19)17-26-24(29)27-14-12-22(13-15-27)23(28)25-16-20-6-4-18(2)5-7-20/h4-7,19,21-22H,3,8-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCXRMXVRSLQSWHF-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.25
Rot. Bonds6

About 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide

1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 166322196) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID166322196
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCC1CCC(CNC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-3-19-8-10-21(11-9-19)17-26-24(29)27-14-12-22(13-15-27)23(28)25-16-20-6-4-18(2)5-7-20/h4-7,19,21-22H,3,8-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCXRMXVRSLQSWHF-UHFFFAOYSA-N
XLogP4.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271
N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 136524002
1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759304
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 15995265
1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759309
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide (CID 166322196) is 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide is CCC1CCC(CNC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is CXRMXVRSLQSWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-3-19-8-10-21(11-9-19)17-26-24(29)27-14-12-22(13-15-27)23(28)25-16-20-6-4-18(2)5-7-20/h4-7,19,21-22H,3,8-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 399.58 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 166322196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).