1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone

C20H25N5O3 — CID 154752185

IUPAC1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
SMILESCC(O)c1cn(C2CN(C(=O)C3CCCN3C(=O)Cc3ccccc3)C2)nn1
InChIInChI=1S/C20H25N5O3/c1-14(26)17-13-25(22-21-17)16-11-23(12-16)20(28)18-8-5-9-24(18)19(27)10-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18,26H,5,8-12H2,1H3
InChIKeyKZVYTBMQLUKLME-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.95
Rot. Bonds5

About 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone

1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 154752185) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
PubChem CID154752185
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
SMILESCC(O)c1cn(C2CN(C(=O)C3CCCN3C(=O)Cc3ccccc3)C2)nn1
InChIInChI=1S/C20H25N5O3/c1-14(26)17-13-25(22-21-17)16-11-23(12-16)20(28)18-8-5-9-24(18)19(27)10-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18,26H,5,8-12H2,1H3
InChIKeyKZVYTBMQLUKLME-UHFFFAOYSA-N
XLogP0.95
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 110023505
1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 119374745
2-phenyl-1-[2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 47721714
1-[(2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 124888269
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 75473495
1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 119423409
[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
CID 97342668
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95765004
1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
CID 45180211
2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 154837326

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone (CID 154752185) is 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone is CC(O)c1cn(C2CN(C(=O)C3CCCN3C(=O)Cc3ccccc3)C2)nn1.
What is the InChIKey of 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is KZVYTBMQLUKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14(26)17-13-25(22-21-17)16-11-23(12-16)20(28)18-8-5-9-24(18)19(27)10-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,18,26H,5,8-12H2,1H3.
What are the key properties of 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone?
1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 383.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 154752185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).