N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide

C16H30N2O2 — CID 16895525

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCOCCN1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-20-12-11-18-9-7-14(8-10-18)13-17-16(19)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyKLUAHUXMEVYIMR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide (PubChem CID 16895525) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide
PubChem CID16895525
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCOCCN1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-20-12-11-18-9-7-14(8-10-18)13-17-16(19)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyKLUAHUXMEVYIMR-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide (CID 16895525) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide is COCCN1CCC(CNC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide?
The InChIKey is KLUAHUXMEVYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-20-12-11-18-9-7-14(8-10-18)13-17-16(19)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 16895525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).