N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide

C17H33N3O2 — CID 71869832

IUPACN-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide
SMILESCOCCCN1CCC(NC(=O)N2CC(C)CCC2C)CC1
InChIInChI=1S/C17H33N3O2/c1-14-5-6-15(2)20(13-14)17(21)18-16-7-10-19(11-8-16)9-4-12-22-3/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyGJORGTWRGADFIB-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.32
Rot. Bonds5

About N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide

N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide (PubChem CID 71869832) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide
PubChem CID71869832
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide
SMILESCOCCCN1CCC(NC(=O)N2CC(C)CCC2C)CC1
InChIInChI=1S/C17H33N3O2/c1-14-5-6-15(2)20(13-14)17(21)18-16-7-10-19(11-8-16)9-4-12-22-3/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyGJORGTWRGADFIB-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
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-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide (CID 71869832) is N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide is COCCCN1CCC(NC(=O)N2CC(C)CCC2C)CC1.
What is the InChIKey of N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide?
The InChIKey is GJORGTWRGADFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-5-6-15(2)20(13-14)17(21)18-16-7-10-19(11-8-16)9-4-12-22-3/h14-16H,4-13H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide?
N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)piperidin-4-yl]-2,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 71869832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).