4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide

C24H38N2O — CID 123451490

IUPAC4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCCC(CC)CNC(=O)C1=CC=C(C=C2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C24H38N2O/c1-3-6-19(4-2)18-25-24(27)22-11-9-20(10-12-22)17-21-13-15-26(16-14-21)23-7-5-8-23/h9,11,17,19,23H,3-8,10,12-16,18H2,1-2H3,(H,25,27)
InChIKeyNEAGRKIPXGWRAH-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.15
Rot. Bonds8

About 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide

4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 123451490) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID123451490
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCCC(CC)CNC(=O)C1=CC=C(C=C2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C24H38N2O/c1-3-6-19(4-2)18-25-24(27)22-11-9-20(10-12-22)17-21-13-15-26(16-14-21)23-7-5-8-23/h9,11,17,19,23H,3-8,10,12-16,18H2,1-2H3,(H,25,27)
InChIKeyNEAGRKIPXGWRAH-UHFFFAOYSA-N
XLogP5.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide (CID 123451490) is 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide is CCCC(CC)CNC(=O)C1=CC=C(C=C2CCN(C3CCC3)CC2)CC1.
What is the InChIKey of 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is NEAGRKIPXGWRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-3-6-19(4-2)18-25-24(27)22-11-9-20(10-12-22)17-21-13-15-26(16-14-21)23-7-5-8-23/h9,11,17,19,23H,3-8,10,12-16,18H2,1-2H3,(H,25,27).
What are the key properties of 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide?
4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 370.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclobutylpiperidin-4-ylidene)methyl]-N-(2-ethylpentyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123451490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).