1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide

C14H22N2O — CID 70509241

IUPAC1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCN2CCCCC2)C=CC=CC1
InChIInChI=1S/C14H22N2O/c15-13(17)14(7-3-1-4-8-14)9-12-16-10-5-2-6-11-16/h1,3-4,7H,2,5-6,8-12H2,(H2,15,17)
InChIKeyPTBRHYMMGWFCGW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.85
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide

1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70509241) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID70509241
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCN2CCCCC2)C=CC=CC1
InChIInChI=1S/C14H22N2O/c15-13(17)14(7-3-1-4-8-14)9-12-16-10-5-2-6-11-16/h1,3-4,7H,2,5-6,8-12H2,(H2,15,17)
InChIKeyPTBRHYMMGWFCGW-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide (CID 70509241) is 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(CCN2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is PTBRHYMMGWFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13(17)14(7-3-1-4-8-14)9-12-16-10-5-2-6-11-16/h1,3-4,7H,2,5-6,8-12H2,(H2,15,17).
What are the key properties of 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide?
1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70509241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).