N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide

C21H34N2O — CID 141326361

IUPACN-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(C2CC=CC=C2CN2CCCCC2)CC1
InChIInChI=1S/C21H34N2O/c1-2-22-21(24)18-12-10-17(11-13-18)20-9-5-4-8-19(20)16-23-14-6-3-7-15-23/h4-5,8,17-18,20H,2-3,6-7,9-16H2,1H3,(H,22,24)
InChIKeyIOEDNKUZSNEDHJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.92
Rot. Bonds5

About N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide

N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide (PubChem CID 141326361) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide
PubChem CID141326361
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(C2CC=CC=C2CN2CCCCC2)CC1
InChIInChI=1S/C21H34N2O/c1-2-22-21(24)18-12-10-17(11-13-18)20-9-5-4-8-19(20)16-23-14-6-3-7-15-23/h4-5,8,17-18,20H,2-3,6-7,9-16H2,1H3,(H,22,24)
InChIKeyIOEDNKUZSNEDHJ-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide (CID 141326361) is N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide is CCNC(=O)C1CCC(C2CC=CC=C2CN2CCCCC2)CC1.
What is the InChIKey of N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
The InChIKey is IOEDNKUZSNEDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-2-22-21(24)18-12-10-17(11-13-18)20-9-5-4-8-19(20)16-23-14-6-3-7-15-23/h4-5,8,17-18,20H,2-3,6-7,9-16H2,1H3,(H,22,24).
What are the key properties of N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide has a molecular weight of 330.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 141326361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).