1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid

C15H20N4O2 — CID 117099459

IUPAC1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid
SMILESCC(C)n1nnc2cc(N3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-10(2)19-14-4-3-12(9-13(14)16-17-19)18-7-5-11(6-8-18)15(20)21/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)
InChIKeyHKDIHARJMZUQHG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.31
Rot. Bonds3

About 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid

1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 117099459) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid
PubChem CID117099459
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid
SMILESCC(C)n1nnc2cc(N3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-10(2)19-14-4-3-12(9-13(14)16-17-19)18-7-5-11(6-8-18)15(20)21/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)
InChIKeyHKDIHARJMZUQHG-UHFFFAOYSA-N
XLogP2.31
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid
CID 117099457
4-(3-propan-2-ylbenzotriazol-5-yl)morpholine
CID 178059257
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
CID 117099421
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]piperidine-4-carboxylic acid
CID 117099425
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone
CID 50787545
1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
CID 107275312
N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propan-2-ylbenzotriazole-5-sulfonamide
CID 46330292
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
CID 79600593

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid (CID 117099459) is 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid is CC(C)n1nnc2cc(N3CCC(C(=O)O)CC3)ccc21.
What is the InChIKey of 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is HKDIHARJMZUQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19-14-4-3-12(9-13(14)16-17-19)18-7-5-11(6-8-18)15(20)21/h3-4,9-11H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117099459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).