1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C15H19FN6O — CID 24817368

IUPAC1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN6O/c16-12-3-5-13(6-4-12)18-14-2-1-8-21(10-14)15(23)7-9-22-11-17-19-20-22/h3-6,11,14,18H,1-2,7-10H2
InChIKeyNVLUXRNLRYXGIB-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.31
Rot. Bonds5

About 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 24817368) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID24817368
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN6O/c16-12-3-5-13(6-4-12)18-14-2-1-8-21(10-14)15(23)7-9-22-11-17-19-20-22/h3-6,11,14,18H,1-2,7-10H2
InChIKeyNVLUXRNLRYXGIB-UHFFFAOYSA-N
XLogP1.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 24817368) is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(CCn1cnnn1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is NVLUXRNLRYXGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-12-3-5-13(6-4-12)18-14-2-1-8-21(10-14)15(23)7-9-22-11-17-19-20-22/h3-6,11,14,18H,1-2,7-10H2.
What are the key properties of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 318.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 24817368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).