(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one

C17H25N5O3 — CID 96996747

IUPAC(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCCc1nc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)CCO2)n[nH]1
InChIInChI=1S/C17H25N5O3/c1-2-14-18-16(20-19-14)13-10-21(5-6-25-13)17(24)12-7-15(23)22(9-12)8-11-3-4-11/h11-13H,2-10H2,1H3,(H,18,19,20)/t12-,13-/m1/s1
InChIKeyLPDNRLRHQRUJKA-CHWSQXEVSA-N
MW347.42 g/mol
LogP0.53
Rot. Bonds5

About (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one

(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 96996747) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID96996747
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCCc1nc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)CCO2)n[nH]1
InChIInChI=1S/C17H25N5O3/c1-2-14-18-16(20-19-14)13-10-21(5-6-25-13)17(24)12-7-15(23)22(9-12)8-11-3-4-11/h11-13H,2-10H2,1H3,(H,18,19,20)/t12-,13-/m1/s1
InChIKeyLPDNRLRHQRUJKA-CHWSQXEVSA-N
XLogP0.53
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 94098725
1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127360135
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059556
[(1R,2S)-2-cyclohexylcyclopropyl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129425416
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 129490669
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone
CID 97059542
1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 96996840
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 96996797
(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 99795480
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 96996747) is (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one is CCc1nc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)CCO2)n[nH]1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is LPDNRLRHQRUJKA-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-2-14-18-16(20-19-14)13-10-21(5-6-25-13)17(24)12-7-15(23)22(9-12)8-11-3-4-11/h11-13H,2-10H2,1H3,(H,18,19,20)/t12-,13-/m1/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 96996747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).