4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride

C13H27ClN2O2 — CID 119718677

IUPAC4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCCC(C)C)CCNCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-11(2)5-4-8-15-12(16)13(17-3)6-9-14-10-7-13;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyAOBUCRRFBABVEW-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.73
Rot. Bonds6

About 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119718677) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119718677
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCCC(C)C)CCNCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-11(2)5-4-8-15-12(16)13(17-3)6-9-14-10-7-13;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyAOBUCRRFBABVEW-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.73
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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Related Compounds

4-methoxy-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 119673358
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
4-methoxy-N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119674910
4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119820271
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
CID 119693443
N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
CID 119790891
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119851284
N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119783577
4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
CID 119885466
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride (CID 119718677) is 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCCCC(C)C)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is AOBUCRRFBABVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-11(2)5-4-8-15-12(16)13(17-3)6-9-14-10-7-13;/h11,14H,4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119718677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).