N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide

C17H32N2O2 — CID 63128684

IUPACN-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NCCCOC2CCCCC2)CCNCC1
InChIInChI=1S/C17H32N2O2/c1-2-17(9-12-18-13-10-17)16(20)19-11-6-14-21-15-7-4-3-5-8-15/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeyXESRVECKURCMNP-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.62
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide

N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide (PubChem CID 63128684) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
PubChem CID63128684
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NCCCOC2CCCCC2)CCNCC1
InChIInChI=1S/C17H32N2O2/c1-2-17(9-12-18-13-10-17)16(20)19-11-6-14-21-15-7-4-3-5-8-15/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeyXESRVECKURCMNP-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide (CID 63128684) is N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)NCCCOC2CCCCC2)CCNCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is XESRVECKURCMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-17(9-12-18-13-10-17)16(20)19-11-6-14-21-15-7-4-3-5-8-15/h15,18H,2-14H2,1H3,(H,19,20).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide?
N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63128684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).