(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid

C10H14N4O3 — CID 28789819

IUPAC(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C10H14N4O3/c15-9(5-14-7-11-6-12-14)13-3-1-2-8(4-13)10(16)17/h6-8H,1-5H2,(H,16,17)/t8-/m1/s1
InChIKeyZGCOLCVHYPSOAW-MRVPVSSYSA-N
MW238.25 g/mol
LogP-0.40
Rot. Bonds3

About (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 28789819) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID28789819
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C10H14N4O3/c15-9(5-14-7-11-6-12-14)13-3-1-2-8(4-13)10(16)17/h6-8H,1-5H2,(H,16,17)/t8-/m1/s1
InChIKeyZGCOLCVHYPSOAW-MRVPVSSYSA-N
XLogP-0.40
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437
1-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42192818
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 106671113
1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 81470062
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 43355789
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 71809335
(3S)-1-[2-(4-nitropyrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125826
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 45217471
1-[(2R)-2-methylpyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 143979250
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 25455462
(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633456

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid (CID 28789819) is (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Cn2cncn2)C1.
What is the InChIKey of (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is ZGCOLCVHYPSOAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(5-14-7-11-6-12-14)13-3-1-2-8(4-13)10(16)17/h6-8H,1-5H2,(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 28789819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).