N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide

C22H34N2O — CID 14553604

IUPACN-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide
SMILESCN(CCC1CCN(CC2CCCCC2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H34N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h3,6-7,10-11,19-20H,2,4-5,8-9,12-18H2,1H3
InChIKeyCWXUIVIUCOBFEM-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide

N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide (PubChem CID 14553604) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide
PubChem CID14553604
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC NameN-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide
SMILESCN(CCC1CCN(CC2CCCCC2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H34N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h3,6-7,10-11,19-20H,2,4-5,8-9,12-18H2,1H3
InChIKeyCWXUIVIUCOBFEM-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide (CID 14553604) is N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide is CN(CCC1CCN(CC2CCCCC2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide?
The InChIKey is CWXUIVIUCOBFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h3,6-7,10-11,19-20H,2,4-5,8-9,12-18H2,1H3.
What are the key properties of N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide?
N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide has a molecular weight of 342.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-N-methylbenzamide is sourced from PubChem (CID 14553604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).