piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone

C13H15N5O — CID 817486

IUPACpiperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCCCC1
InChIInChI=1S/C13H15N5O/c19-13(17-8-2-1-3-9-17)11-4-6-12(7-5-11)18-10-14-15-16-18/h4-7,10H,1-3,8-9H2
InChIKeyJNUBUUVSAUHVCX-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.29
Rot. Bonds2

About piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone

piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 817486) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID817486
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Namepiperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCCCC1
InChIInChI=1S/C13H15N5O/c19-13(17-8-2-1-3-9-17)11-4-6-12(7-5-11)18-10-14-15-16-18/h4-7,10H,1-3,8-9H2
InChIKeyJNUBUUVSAUHVCX-UHFFFAOYSA-N
XLogP1.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
CID 716433
N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
4-(1H-1,2,4-triazol-1-yl)benzaldehyde
CID 2776488
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-bromophenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 856148
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
CID 6460430
1-(4-Benzoyl-2-methyl-piperazin-1-yl)-2-(4-[1,2,4]triazol-1-yl-phenyl)-ethane-1,2-dione
CID 24994153
3-[2-[4-[2-[4-(Tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
CID 57331268
4-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile
CID 67518221
4-(1H-tetrazol-1-yl)benzohydrazide
CID 2114009
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone (CID 817486) is piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cnnn2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is JNUBUUVSAUHVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(17-8-2-1-3-9-17)11-4-6-12(7-5-11)18-10-14-15-16-18/h4-7,10H,1-3,8-9H2.
What are the key properties of piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 257.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 817486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).