N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide

C21H32N2O — CID 57179371

IUPACN-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide
SMILESCCC1CCN(CC2(NC(=O)c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C21H32N2O/c1-2-18-11-15-23(16-12-18)17-21(13-7-4-8-14-21)22-20(24)19-9-5-3-6-10-19/h3,5-6,9-10,18H,2,4,7-8,11-17H2,1H3,(H,22,24)
InChIKeyLPEBDEUIIWDFLF-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.24
Rot. Bonds5

About N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide

N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide (PubChem CID 57179371) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide
PubChem CID57179371
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide
SMILESCCC1CCN(CC2(NC(=O)c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C21H32N2O/c1-2-18-11-15-23(16-12-18)17-21(13-7-4-8-14-21)22-20(24)19-9-5-3-6-10-19/h3,5-6,9-10,18H,2,4,7-8,11-17H2,1H3,(H,22,24)
InChIKeyLPEBDEUIIWDFLF-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide?
The IUPAC name of N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide (CID 57179371) is N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide?
The canonical SMILES for N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide is CCC1CCN(CC2(NC(=O)c3ccccc3)CCCCC2)CC1.
What is the InChIKey of N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide?
The InChIKey is LPEBDEUIIWDFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-18-11-15-23(16-12-18)17-21(13-7-4-8-14-21)22-20(24)19-9-5-3-6-10-19/h3,5-6,9-10,18H,2,4,7-8,11-17H2,1H3,(H,22,24).
What are the key properties of N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide?
N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide has a molecular weight of 328.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-ethylpiperidin-1-yl)methyl]cyclohexyl]benzamide is sourced from PubChem (CID 57179371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).