N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide

C17H33N3O2 — CID 119851284

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCN2CC(C)CC(C)C2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14-11-15(2)13-20(12-14)10-4-7-19-16(21)17(22-3)5-8-18-9-6-17/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyVGXSPFQPWRIAEX-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.24
Rot. Bonds6

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119851284) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119851284
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCN2CC(C)CC(C)C2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14-11-15(2)13-20(12-14)10-4-7-19-16(21)17(22-3)5-8-18-9-6-17/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyVGXSPFQPWRIAEX-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.24
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-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642892
4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
CID 119885466
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
CID 119790891
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
CID 119853651
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
CID 119693443
4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119731855
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618524

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide (CID 119851284) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCCN2CC(C)CC(C)C2)CCNCC1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is VGXSPFQPWRIAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-11-15(2)13-20(12-14)10-4-7-19-16(21)17(22-3)5-8-18-9-6-17/h14-15,18H,4-13H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119851284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).