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

C20H32N2O — CID 141326355

IUPACN-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(C2CC=CC=C2CN2CCCCC2)CC1
InChIInChI=1S/C20H32N2O/c1-21-20(23)17-11-9-16(10-12-17)19-8-4-3-7-18(19)15-22-13-5-2-6-14-22/h3-4,7,16-17,19H,2,5-6,8-15H2,1H3,(H,21,23)
InChIKeyPCVOVYVVNDVTEG-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.53
Rot. Bonds4

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

N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide (PubChem CID 141326355) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide
PubChem CID141326355
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(C2CC=CC=C2CN2CCCCC2)CC1
InChIInChI=1S/C20H32N2O/c1-21-20(23)17-11-9-16(10-12-17)19-8-4-3-7-18(19)15-22-13-5-2-6-14-22/h3-4,7,16-17,19H,2,5-6,8-15H2,1H3,(H,21,23)
InChIKeyPCVOVYVVNDVTEG-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide (CID 141326355) is N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide is CNC(=O)C1CCC(C2CC=CC=C2CN2CCCCC2)CC1.
What is the InChIKey of N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
The InChIKey is PCVOVYVVNDVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-21-20(23)17-11-9-16(10-12-17)19-8-4-3-7-18(19)15-22-13-5-2-6-14-22/h3-4,7,16-17,19H,2,5-6,8-15H2,1H3,(H,21,23).
What are the key properties of N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide?
N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide has a molecular weight of 316.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 141326355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).