N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide

C16H30N2O2 — CID 119790891

IUPACN-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCCC2CCCC2)CCNCC1
InChIInChI=1S/C16H30N2O2/c1-20-16(9-12-17-13-10-16)15(19)18-11-5-4-8-14-6-2-3-7-14/h14,17H,2-13H2,1H3,(H,18,19)
InChIKeyAJTISUYSMSMVLF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds7

About N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide

N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119790891) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119790891
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCCC2CCCC2)CCNCC1
InChIInChI=1S/C16H30N2O2/c1-20-16(9-12-17-13-10-16)15(19)18-11-5-4-8-14-6-2-3-7-14/h14,17H,2-13H2,1H3,(H,18,19)
InChIKeyAJTISUYSMSMVLF-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
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-pentylpiperidine-4-carboxamide
CID 119669674
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
CID 119693443
4-methoxy-N-[2-(oxan-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119724834
4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
CID 119885466
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
4-methoxy-N-[(2-methylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119750242
4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119756569
1-amino-N-(4-cyclopentylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119790854
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119851284
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531
N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
N-(cyclopentylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119759240

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide (CID 119790891) is N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCCCC2CCCC2)CCNCC1.
What is the InChIKey of N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is AJTISUYSMSMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-20-16(9-12-17-13-10-16)15(19)18-11-5-4-8-14-6-2-3-7-14/h14,17H,2-13H2,1H3,(H,18,19).
What are the key properties of N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide?
N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119790891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).