1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

C19H26N2O4 — CID 42825906

IUPAC1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(C(=O)N2CCOCC2)C(c2ccc(OC)cc2)C1
InChIInChI=1S/C19H26N2O4/c1-3-18(22)21-12-16(14-4-6-15(24-2)7-5-14)17(13-21)19(23)20-8-10-25-11-9-20/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyASNMVQNQEMFDMK-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.51
Rot. Bonds4

About 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 42825906) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID42825906
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(C(=O)N2CCOCC2)C(c2ccc(OC)cc2)C1
InChIInChI=1S/C19H26N2O4/c1-3-18(22)21-12-16(14-4-6-15(24-2)7-5-14)17(13-21)19(23)20-8-10-25-11-9-20/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyASNMVQNQEMFDMK-UHFFFAOYSA-N
XLogP1.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide
CID 42825864
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42825886
1-[(3S,4R)-3-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 93153864
[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93148899
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98772739
[(3R,4R)-1-(3-methoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93148856
4-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid
CID 135307106
(5R,6R)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 95740229
(5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 95740230
cyclopropyl-[3-(4-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 42680307
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 42825906) is 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC(C(=O)N2CCOCC2)C(c2ccc(OC)cc2)C1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ASNMVQNQEMFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-18(22)21-12-16(14-4-6-15(24-2)7-5-14)17(13-21)19(23)20-8-10-25-11-9-20/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 346.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 42825906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).