4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

C19H29N3O3 — CID 71869689

IUPAC4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C(c2ccco2)C1
InChIInChI=1S/C19H29N3O3/c1-14-6-11-22(16(13-14)17-5-4-12-25-17)18(23)15-7-9-21(10-8-15)19(24)20(2)3/h4-5,12,14-16H,6-11,13H2,1-3H3
InChIKeyGTJMYJABIYLEOA-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.97
Rot. Bonds2

About 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 71869689) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID71869689
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C(c2ccco2)C1
InChIInChI=1S/C19H29N3O3/c1-14-6-11-22(16(13-14)17-5-4-12-25-17)18(23)15-7-9-21(10-8-15)19(24)20(2)3/h4-5,12,14-16H,6-11,13H2,1-3H3
InChIKeyGTJMYJABIYLEOA-UHFFFAOYSA-N
XLogP2.97
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (CID 71869689) is 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is CC1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C(c2ccco2)C1.
What is the InChIKey of 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is GTJMYJABIYLEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-6-11-22(16(13-14)17-5-4-12-25-17)18(23)15-7-9-21(10-8-15)19(24)20(2)3/h4-5,12,14-16H,6-11,13H2,1-3H3.
What are the key properties of 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 71869689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).