[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C16H22N2O3 — CID 42825231

IUPAC[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2CNCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-13-4-2-12(3-5-13)14-10-17-11-15(14)16(19)18-6-8-21-9-7-18/h2-5,14-15,17H,6-11H2,1H3
InChIKeyNPZUDJMOLDSDKM-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.86
Rot. Bonds3

About [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42825231) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42825231
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2CNCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-13-4-2-12(3-5-13)14-10-17-11-15(14)16(19)18-6-8-21-9-7-18/h2-5,14-15,17H,6-11H2,1H3
InChIKeyNPZUDJMOLDSDKM-UHFFFAOYSA-N
XLogP0.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42825906
[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42680068
[4-(4-methylphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42656377
(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
(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 155019869
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98772739
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525
(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone
CID 42825204

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42825231) is [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is COc1ccc(C2CNCC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NPZUDJMOLDSDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-13-4-2-12(3-5-13)14-10-17-11-15(14)16(19)18-6-8-21-9-7-18/h2-5,14-15,17H,6-11H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 290.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42825231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).