N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide

C21H32N2O — CID 14783887

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C21H32N2O/c24-21(20-9-5-2-6-10-20)22-14-11-18-12-15-23(16-13-18)17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2,(H,22,24)
InChIKeyLNSFKYPILMLCOG-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide (PubChem CID 14783887) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide
PubChem CID14783887
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C21H32N2O/c24-21(20-9-5-2-6-10-20)22-14-11-18-12-15-23(16-13-18)17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2,(H,22,24)
InChIKeyLNSFKYPILMLCOG-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide (CID 14783887) is N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is LNSFKYPILMLCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c24-21(20-9-5-2-6-10-20)22-14-11-18-12-15-23(16-13-18)17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2,(H,22,24).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 328.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 14783887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).