1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C17H21FN6O3 — CID 122089357

IUPAC1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1F
InChIInChI=1S/C17H21FN6O3/c1-10(2)24-15(20-21-22-24)13-6-5-12(8-14(13)18)19-17(27)23-7-3-4-11(9-23)16(25)26/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,19,27)(H,25,26)
InChIKeyOBEPLIWWVNFORL-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.39
Rot. Bonds4

About 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122089357) has the molecular formula C17H21FN6O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122089357
Molecular FormulaC17H21FN6O3
Molecular Weight376.39 g/mol
Exact Mass376.17
IUPAC Name1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1F
InChIInChI=1S/C17H21FN6O3/c1-10(2)24-15(20-21-22-24)13-6-5-12(8-14(13)18)19-17(27)23-7-3-4-11(9-23)16(25)26/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,19,27)(H,25,26)
InChIKeyOBEPLIWWVNFORL-UHFFFAOYSA-N
XLogP2.39
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122089357) is 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is CC(C)n1nnnc1-c1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1F.
What is the InChIKey of 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is OBEPLIWWVNFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O3/c1-10(2)24-15(20-21-22-24)13-6-5-12(8-14(13)18)19-17(27)23-7-3-4-11(9-23)16(25)26/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,19,27)(H,25,26).
What are the key properties of 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 376.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122089357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).