(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid

C14H15N5O3 — CID 119113704

IUPAC(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C14H15N5O3/c20-13(18-6-2-4-11(8-18)14(21)22)10-3-1-5-12(7-10)19-9-15-16-17-19/h1,3,5,7,9,11H,2,4,6,8H2,(H,21,22)/t11-/m0/s1
InChIKeyFCBAQCJKXFCCHR-NSHDSACASA-N
MW301.31 g/mol
LogP0.60
Rot. Bonds3

About (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid

(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 119113704) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
PubChem CID119113704
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C14H15N5O3/c20-13(18-6-2-4-11(8-18)14(21)22)10-3-1-5-12(7-10)19-9-15-16-17-19/h1,3,5,7,9,11H,2,4,6,8H2,(H,21,22)/t11-/m0/s1
InChIKeyFCBAQCJKXFCCHR-NSHDSACASA-N
XLogP0.60
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 129381235
1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 126770633
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 52523347
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074299

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid (CID 119113704) is (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is FCBAQCJKXFCCHR-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O3/c20-13(18-6-2-4-11(8-18)14(21)22)10-3-1-5-12(7-10)19-9-15-16-17-19/h1,3,5,7,9,11H,2,4,6,8H2,(H,21,22)/t11-/m0/s1.
What are the key properties of (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid?
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 301.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119113704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).