4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid

C15H17N5O3 — CID 119164517

IUPAC4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cn1cnnn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C15H17N5O3/c21-13(10-20-11-16-17-18-20)19-8-6-15(7-9-19,14(22)23)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,22,23)
InChIKeyCLLHIHNGIHPEOX-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.32
Rot. Bonds4

About 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid

4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 119164517) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID119164517
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(Cn1cnnn1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C15H17N5O3/c21-13(10-20-11-16-17-18-20)19-8-6-15(7-9-19,14(22)23)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,22,23)
InChIKeyCLLHIHNGIHPEOX-UHFFFAOYSA-N
XLogP0.32
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905359
1-[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905244
1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905225
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905113
1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905566
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 97208119
1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone
CID 95794105
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 75405301
3-(2-bromophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905433
4-benzyl-3-ethyl-1-[2-(tetrazol-1-yl)acetyl]-1,4-diazepan-5-one
CID 56866890
1-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]-2-(tetrazol-1-yl)ethanone
CID 138387837

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid (CID 119164517) is 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid is O=C(Cn1cnnn1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is CLLHIHNGIHPEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-13(10-20-11-16-17-18-20)19-8-6-15(7-9-19,14(22)23)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,22,23).
What are the key properties of 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid?
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119164517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).