N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide

C24H38N2O — CID 123703683

IUPACN-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCCC1CCCC=C1C1(CNC(=O)C2=CCCC(C)=C2C)CCN(C)CC1
InChIInChI=1S/C24H38N2O/c1-5-20-10-6-7-12-22(20)24(13-15-26(4)16-14-24)17-25-23(27)21-11-8-9-18(2)19(21)3/h11-12,20H,5-10,13-17H2,1-4H3,(H,25,27)
InChIKeyCQXQFKDGNKYAGG-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.01
Rot. Bonds5

About N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide

N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 123703683) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide
PubChem CID123703683
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC NameN-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCCC1CCCC=C1C1(CNC(=O)C2=CCCC(C)=C2C)CCN(C)CC1
InChIInChI=1S/C24H38N2O/c1-5-20-10-6-7-12-22(20)24(13-15-26(4)16-14-24)17-25-23(27)21-11-8-9-18(2)19(21)3/h11-12,20H,5-10,13-17H2,1-4H3,(H,25,27)
InChIKeyCQXQFKDGNKYAGG-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide (CID 123703683) is N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide is CCC1CCCC=C1C1(CNC(=O)C2=CCCC(C)=C2C)CCN(C)CC1.
What is the InChIKey of N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is CQXQFKDGNKYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-5-20-10-6-7-12-22(20)24(13-15-26(4)16-14-24)17-25-23(27)21-11-8-9-18(2)19(21)3/h11-12,20H,5-10,13-17H2,1-4H3,(H,25,27).
What are the key properties of N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide?
N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 370.58 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-ethylcyclohexen-1-yl)-1-methylpiperidin-4-yl]methyl]-5,6-dimethylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 123703683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).