1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

C15H25N5O3 — CID 125008240

IUPAC1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CC[C@@](O)(CN2CCOCC2)C1)n1cncn1
InChIInChI=1S/C15H25N5O3/c1-14(2,20-12-16-11-17-20)13(21)19-4-3-15(22,10-19)9-18-5-7-23-8-6-18/h11-12,22H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyUTONGXOEAMBQML-OAHLLOKOSA-N
MW323.40 g/mol
LogP-0.69
Rot. Bonds4

About 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 125008240) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID125008240
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CC[C@@](O)(CN2CCOCC2)C1)n1cncn1
InChIInChI=1S/C15H25N5O3/c1-14(2,20-12-16-11-17-20)13(21)19-4-3-15(22,10-19)9-18-5-7-23-8-6-18/h11-12,22H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyUTONGXOEAMBQML-OAHLLOKOSA-N
XLogP-0.69
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 127248055
1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 124941937
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125017033
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124982202
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007709
4-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 124977540
2-cyclopentyl-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007806
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110098043
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 125001962
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125011164
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 127248040
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 124944302

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (CID 125008240) is 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C)(C(=O)N1CC[C@@](O)(CN2CCOCC2)C1)n1cncn1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is UTONGXOEAMBQML-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-14(2,20-12-16-11-17-20)13(21)19-4-3-15(22,10-19)9-18-5-7-23-8-6-18/h11-12,22H,3-10H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 323.40 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 125008240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).