(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid

C12H18N4O3 — CID 81119527

IUPAC(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCCc1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H18N4O3/c1-2-4-9-13-10(15-14-9)11(17)16-6-3-5-8(7-16)12(18)19/h8H,2-7H2,1H3,(H,18,19)(H,13,14,15)/t8-/m1/s1
InChIKeyCGOGXTSWEJANRP-MRVPVSSYSA-N
MW266.30 g/mol
LogP0.69
Rot. Bonds4

About (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81119527) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID81119527
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCCc1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H18N4O3/c1-2-4-9-13-10(15-14-9)11(17)16-6-3-5-8(7-16)12(18)19/h8H,2-7H2,1H3,(H,18,19)(H,13,14,15)/t8-/m1/s1
InChIKeyCGOGXTSWEJANRP-MRVPVSSYSA-N
XLogP0.69
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398187
methyl 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 114009914
methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate
CID 107858387
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301600
methyl 1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 114009916
1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197698
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid
CID 84614333
(2-ethylazepan-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 104691203

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid (CID 81119527) is (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid is CCCc1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)n[nH]1.
What is the InChIKey of (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CGOGXTSWEJANRP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-4-9-13-10(15-14-9)11(17)16-6-3-5-8(7-16)12(18)19/h8H,2-7H2,1H3,(H,18,19)(H,13,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81119527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).