3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid

C12H18N4O3 — CID 114278479

IUPAC3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)CCn2ccnn2)CCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-9-8-15(5-2-10(9)12(18)19)11(17)3-6-16-7-4-13-14-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,18,19)
InChIKeyIZAWEEPEVZIDRH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.24
Rot. Bonds4

About 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid

3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 114278479) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID114278479
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCC1CN(C(=O)CCn2ccnn2)CCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-9-8-15(5-2-10(9)12(18)19)11(17)3-6-16-7-4-13-14-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,18,19)
InChIKeyIZAWEEPEVZIDRH-UHFFFAOYSA-N
XLogP0.24
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63006196
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 104974882
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 80552633
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 95777862
3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323391
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 114278479) is 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid is CC1CN(C(=O)CCn2ccnn2)CCC1C(=O)O.
What is the InChIKey of 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is IZAWEEPEVZIDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-8-15(5-2-10(9)12(18)19)11(17)3-6-16-7-4-13-14-16/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,18,19).
What are the key properties of 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114278479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).