1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide

C16H22N4O2 — CID 46994488

IUPAC1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H22N4O2/c21-16(18-6-5-14-9-17-12-19-14)13-3-1-7-20(10-13)11-15-4-2-8-22-15/h2,4,8-9,12-13H,1,3,5-7,10-11H2,(H,17,19)(H,18,21)
InChIKeyZCDSJRFNOCYOMZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.57
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 46994488) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID46994488
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H22N4O2/c21-16(18-6-5-14-9-17-12-19-14)13-3-1-7-20(10-13)11-15-4-2-8-22-15/h2,4,8-9,12-13H,1,3,5-7,10-11H2,(H,17,19)(H,18,21)
InChIKeyZCDSJRFNOCYOMZ-UHFFFAOYSA-N
XLogP1.57
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide (CID 46994488) is 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is ZCDSJRFNOCYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(18-6-5-14-9-17-12-19-14)13-3-1-7-20(10-13)11-15-4-2-8-22-15/h2,4,8-9,12-13H,1,3,5-7,10-11H2,(H,17,19)(H,18,21).
What are the key properties of 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46994488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).