1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

C13H16N6O — CID 2527325

IUPAC1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C13H16N6O/c14-12(20)10-6-8-18(9-7-10)13-15-16-17-19(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,20)
InChIKeyGYCQJZQRKJRYNU-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.36
Rot. Bonds3

About 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 2527325) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID2527325
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C13H16N6O/c14-12(20)10-6-8-18(9-7-10)13-15-16-17-19(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,20)
InChIKeyGYCQJZQRKJRYNU-UHFFFAOYSA-N
XLogP0.36
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 2527325) is 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is GYCQJZQRKJRYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-12(20)10-6-8-18(9-7-10)13-15-16-17-19(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,20).
What are the key properties of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2527325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).