3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

C18H23N5O2 — CID 137199368

IUPAC3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1CCCN1c1ccccc1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C18H23N5O2/c24-17(15-9-5-11-23(15)14-7-2-1-3-8-14)22-10-4-6-13(12-22)16-19-18(25)21-20-16/h1-3,7-8,13,15H,4-6,9-12H2,(H2,19,20,21,25)
InChIKeyMAXWAPRLZQUIFQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.47
Rot. Bonds3

About 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137199368) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137199368
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1CCCN1c1ccccc1)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C18H23N5O2/c24-17(15-9-5-11-23(15)14-7-2-1-3-8-14)22-10-4-6-13(12-22)16-19-18(25)21-20-16/h1-3,7-8,13,15H,4-6,9-12H2,(H2,19,20,21,25)
InChIKeyMAXWAPRLZQUIFQ-UHFFFAOYSA-N
XLogP1.47
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793780
N-methyl-2-(4-(1-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)acetamide
CID 71793786
3-[(3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136315893
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 137299466
6-{[3-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}pyridin-2(1H)-one
CID 56702008
4-ethyl-3-((1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-3-yl)methyl)-1H-1,2,4-triazol-5(4H)-one
CID 91628772
5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299296
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299370
5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299416
6-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95189947
N-(5-methyl-1-phenylpyrrolidin-3-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136217418
3-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 164640324

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137199368) is 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(C1CCCN1c1ccccc1)N1CCCC(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is MAXWAPRLZQUIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(15-9-5-11-23(15)14-7-2-1-3-8-14)22-10-4-6-13(12-22)16-19-18(25)21-20-16/h1-3,7-8,13,15H,4-6,9-12H2,(H2,19,20,21,25).
What are the key properties of 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 341.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenylpyrrolidine-2-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137199368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).