2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone

C14H19N7O2 — CID 99930209

IUPAC2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESNc1nnnn1CC(=O)N1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C14H19N7O2/c15-14-17-18-19-21(14)9-12(22)20-7-4-10(5-8-20)13(23)11-3-1-2-6-16-11/h1-3,6,10,13,23H,4-5,7-9H2,(H2,15,17,19)/t13-/m1/s1
InChIKeyUMVHBEKNAQBDNH-CYBMUJFWSA-N
MW317.35 g/mol
LogP-0.38
Rot. Bonds4

About 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone

2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 99930209) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID99930209
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESNc1nnnn1CC(=O)N1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C14H19N7O2/c15-14-17-18-19-21(14)9-12(22)20-7-4-10(5-8-20)13(23)11-3-1-2-6-16-11/h1-3,6,10,13,23H,4-5,7-9H2,(H2,15,17,19)/t13-/m1/s1
InChIKeyUMVHBEKNAQBDNH-CYBMUJFWSA-N
XLogP-0.38
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone (CID 99930209) is 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone is Nc1nnnn1CC(=O)N1CCC([C@@H](O)c2ccccn2)CC1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is UMVHBEKNAQBDNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N7O2/c15-14-17-18-19-21(14)9-12(22)20-7-4-10(5-8-20)13(23)11-3-1-2-6-16-11/h1-3,6,10,13,23H,4-5,7-9H2,(H2,15,17,19)/t13-/m1/s1.
What are the key properties of 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 317.35 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 99930209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).