N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

C18H20N6O2 — CID 47089932

IUPACN-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H20N6O2/c25-17(19-13-16-7-4-12-26-16)14-8-10-23(11-9-14)18-20-21-22-24(18)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,19,25)
InChIKeyPDKQWFMMFLMHQR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.79
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 47089932) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID47089932
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H20N6O2/c25-17(19-13-16-7-4-12-26-16)14-8-10-23(11-9-14)18-20-21-22-24(18)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,19,25)
InChIKeyPDKQWFMMFLMHQR-UHFFFAOYSA-N
XLogP1.79
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 47089932) is N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is PDKQWFMMFLMHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-17(19-13-16-7-4-12-26-16)14-8-10-23(11-9-14)18-20-21-22-24(18)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,19,25).
What are the key properties of N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47089932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).