(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone

C19H20N6O — CID 121495789

IUPAC(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3nnnn3-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H20N6O/c20-16-10-12-24(13-11-16)19(26)15-8-6-14(7-9-15)18-21-22-23-25(18)17-4-2-1-3-5-17/h1-9,16H,10-13,20H2
InChIKeyLZFIQPHVATZUIS-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.89
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone

(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone (PubChem CID 121495789) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone
PubChem CID121495789
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3nnnn3-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H20N6O/c20-16-10-12-24(13-11-16)19(26)15-8-6-14(7-9-15)18-21-22-23-25(18)17-4-2-1-3-5-17/h1-9,16H,10-13,20H2
InChIKeyLZFIQPHVATZUIS-UHFFFAOYSA-N
XLogP1.89
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone (CID 121495789) is (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone is NC1CCN(C(=O)c2ccc(-c3nnnn3-c3ccccc3)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone?
The InChIKey is LZFIQPHVATZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-16-10-12-24(13-11-16)19(26)15-8-6-14(7-9-15)18-21-22-23-25(18)17-4-2-1-3-5-17/h1-9,16H,10-13,20H2.
What are the key properties of (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone?
(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 121495789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).