1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid

C22H23N5O3 — CID 123651406

IUPAC1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(Cc2ccccc2)C(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C22H23N5O3/c28-21(17-6-8-19(9-7-17)27-15-23-24-25-27)20(14-16-4-2-1-3-5-16)26-12-10-18(11-13-26)22(29)30/h1-9,15,18,20H,10-14H2,(H,29,30)
InChIKeyMIOYVPVGQDUHOK-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.25
Rot. Bonds7

About 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid

1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 123651406) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid
PubChem CID123651406
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(Cc2ccccc2)C(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C22H23N5O3/c28-21(17-6-8-19(9-7-17)27-15-23-24-25-27)20(14-16-4-2-1-3-5-16)26-12-10-18(11-13-26)22(29)30/h1-9,15,18,20H,10-14H2,(H,29,30)
InChIKeyMIOYVPVGQDUHOK-UHFFFAOYSA-N
XLogP2.25
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-oxo-3-phenyl-1-(2-phenylpyrimidin-5-yl)propan-2-yl]piperidine-4-carboxylic acid
CID 123611173
(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 4317335
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066522
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 33366690
N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542
1-(4-hydroxyphenyl)-2-morpholin-4-yl-3-phenylpropan-1-one
CID 24843920
1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 5024671

Frequently Asked Questions

What is the IUPAC name of 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid (CID 123651406) is 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(Cc2ccccc2)C(=O)c2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is MIOYVPVGQDUHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-21(17-6-8-19(9-7-17)27-15-23-24-25-27)20(14-16-4-2-1-3-5-16)26-12-10-18(11-13-26)22(29)30/h1-9,15,18,20H,10-14H2,(H,29,30).
What are the key properties of 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid?
1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 405.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 123651406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).