1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

C14H22N6O2 — CID 75370591

IUPAC1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C14H22N6O2/c1-10(21)20-9-5-6-11(20)12(22)15-13-16-14(18-17-13)19-7-3-2-4-8-19/h11H,2-9H2,1H3,(H2,15,16,17,18,22)
InChIKeyLAAXBKAGXJRIDZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.74
Rot. Bonds3

About 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 75370591) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID75370591
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C14H22N6O2/c1-10(21)20-9-5-6-11(20)12(22)15-13-16-14(18-17-13)19-7-3-2-4-8-19/h11H,2-9H2,1H3,(H2,15,16,17,18,22)
InChIKeyLAAXBKAGXJRIDZ-UHFFFAOYSA-N
XLogP0.74
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 56555754
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 75376748
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 56527498
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide
CID 167798698
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (CID 75370591) is 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1nc(N2CCCCC2)n[nH]1.
What is the InChIKey of 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is LAAXBKAGXJRIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-10(21)20-9-5-6-11(20)12(22)15-13-16-14(18-17-13)19-7-3-2-4-8-19/h11H,2-9H2,1H3,(H2,15,16,17,18,22).
What are the key properties of 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75370591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).