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

C16H30N2O3 — CID 119693443

IUPACN-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCOC2CCCCC2)CCNCC1
InChIInChI=1S/C16H30N2O3/c1-20-16(8-11-17-12-9-16)15(19)18-10-5-13-21-14-6-3-2-4-7-14/h14,17H,2-13H2,1H3,(H,18,19)
InChIKeyUFVRQRIYFABUFK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.61
Rot. Bonds7

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

N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119693443) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119693443
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCOC2CCCCC2)CCNCC1
InChIInChI=1S/C16H30N2O3/c1-20-16(8-11-17-12-9-16)15(19)18-10-5-13-21-14-6-3-2-4-7-14/h14,17H,2-13H2,1H3,(H,18,19)
InChIKeyUFVRQRIYFABUFK-UHFFFAOYSA-N
XLogP1.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
CID 63128684
N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
CID 119790891
4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
CID 119885466
4-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 119787364
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
1-amino-N-(3-cyclopentyloxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119309030
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide
CID 115448369
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
N-(2-cyclopentyloxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63826527

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide (CID 119693443) is N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCCOC2CCCCC2)CCNCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is UFVRQRIYFABUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-20-16(8-11-17-12-9-16)15(19)18-10-5-13-21-14-6-3-2-4-7-14/h14,17H,2-13H2,1H3,(H,18,19).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide?
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119693443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).