N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide

C14H22N2O2 — CID 74250434

IUPACN-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)NCCCc1ccco1
InChIInChI=1S/C14H22N2O2/c1-16-10-3-2-8-13(16)14(17)15-9-4-6-12-7-5-11-18-12/h5,7,11,13H,2-4,6,8-10H2,1H3,(H,15,17)
InChIKeyXLQIEEZQAHTLIW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds5

About N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide

N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide (PubChem CID 74250434) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide
PubChem CID74250434
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)NCCCc1ccco1
InChIInChI=1S/C14H22N2O2/c1-16-10-3-2-8-13(16)14(17)15-9-4-6-12-7-5-11-18-12/h5,7,11,13H,2-4,6,8-10H2,1H3,(H,15,17)
InChIKeyXLQIEEZQAHTLIW-UHFFFAOYSA-N
XLogP1.81
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
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-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide (CID 74250434) is N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide is CN1CCCCC1C(=O)NCCCc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide?
The InChIKey is XLQIEEZQAHTLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-10-3-2-8-13(16)14(17)15-9-4-6-12-7-5-11-18-12/h5,7,11,13H,2-4,6,8-10H2,1H3,(H,15,17).
What are the key properties of N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide?
N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 74250434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).