3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

C19H21FN6O2 — CID 1445134

IUPAC3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnnn2Cc2ccco2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21FN6O2/c20-15-4-1-3-14(11-15)19(27)21-16-6-8-25(9-7-16)13-18-22-23-24-26(18)12-17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,21,27)
InChIKeySYFGSOMGCVOCOS-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.85
Rot. Bonds6

About 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 1445134) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID1445134
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnnn2Cc2ccco2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21FN6O2/c20-15-4-1-3-14(11-15)19(27)21-16-6-8-25(9-7-16)13-18-22-23-24-26(18)12-17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,21,27)
InChIKeySYFGSOMGCVOCOS-UHFFFAOYSA-N
XLogP1.85
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 1445134) is 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2nnnn2Cc2ccco2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is SYFGSOMGCVOCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c20-15-4-1-3-14(11-15)19(27)21-16-6-8-25(9-7-16)13-18-22-23-24-26(18)12-17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,21,27).
What are the key properties of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 384.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 1445134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).