3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide

C16H30N2O2 — CID 86843960

IUPAC3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NCC2CCCC(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-15-8-5-9-18(12-15)16(19)17-11-14-7-4-6-13(2)10-14/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyQMWNVBMPSURGDX-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.02
Rot. Bonds4

About 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide

3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide (PubChem CID 86843960) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide
PubChem CID86843960
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NCC2CCCC(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-15-8-5-9-18(12-15)16(19)17-11-14-7-4-6-13(2)10-14/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyQMWNVBMPSURGDX-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide (CID 86843960) is 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide is CCOC1CCCN(C(=O)NCC2CCCC(C)C2)C1.
What is the InChIKey of 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide?
The InChIKey is QMWNVBMPSURGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-20-15-8-5-9-18(12-15)16(19)17-11-14-7-4-6-13(2)10-14/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide?
3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-methylcyclohexyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86843960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).