(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid

C14H14ClN5O3 — CID 129381235

IUPAC(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1
InChIInChI=1S/C14H14ClN5O3/c15-12-6-10(20-8-16-17-18-20)3-4-11(12)13(21)19-5-1-2-9(7-19)14(22)23/h3-4,6,8-9H,1-2,5,7H2,(H,22,23)/t9-/m1/s1
InChIKeyUOMIAPKROOAHQZ-SECBINFHSA-N
MW335.75 g/mol
LogP1.25
Rot. Bonds3

About (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid

(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 129381235) has the molecular formula C14H14ClN5O3 and a molecular weight of 335.75 g/mol. Its IUPAC name is (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
PubChem CID129381235
Molecular FormulaC14H14ClN5O3
Molecular Weight335.75 g/mol
Exact Mass335.08
IUPAC Name(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1
InChIInChI=1S/C14H14ClN5O3/c15-12-6-10(20-8-16-17-18-20)3-4-11(12)13(21)19-5-1-2-9(7-19)14(22)23/h3-4,6,8-9H,1-2,5,7H2,(H,22,23)/t9-/m1/s1
InChIKeyUOMIAPKROOAHQZ-SECBINFHSA-N
XLogP1.25
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 126770633
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[2-chloro-4-(tetrazol-1-yl)phenyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589606
1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074299
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(3R)-1-[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 124576815
(3S)-1-(2-chloro-4,5-dimethylbenzoyl)piperidine-3-carboxylic acid
CID 120514108
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
CID 95729380
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid (CID 129381235) is (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1.
What is the InChIKey of (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is UOMIAPKROOAHQZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN5O3/c15-12-6-10(20-8-16-17-18-20)3-4-11(12)13(21)19-5-1-2-9(7-19)14(22)23/h3-4,6,8-9H,1-2,5,7H2,(H,22,23)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 335.75 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).