[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C22H27N3O4 — CID 163339877

IUPAC[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCn1cccc1C(=O)N1CCCC1COc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O4/c1-23-10-3-5-20(23)22(27)25-11-2-4-18(25)16-29-19-8-6-17(7-9-19)21(26)24-12-14-28-15-13-24/h3,5-10,18H,2,4,11-16H2,1H3
InChIKeyNHPDJGWVLWWQBJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.18
Rot. Bonds5

About [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 163339877) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID163339877
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCn1cccc1C(=O)N1CCCC1COc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O4/c1-23-10-3-5-20(23)22(27)25-11-2-4-18(25)16-29-19-8-6-17(7-9-19)21(26)24-12-14-28-15-13-24/h3,5-10,18H,2,4,11-16H2,1H3
InChIKeyNHPDJGWVLWWQBJ-UHFFFAOYSA-N
XLogP2.18
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900487
3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
CID 163339484
morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 163339790
[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339973
[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339439
[4-[[1-(3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339935
[4-[[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097621
N-(2-methoxyphenyl)-2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340101
[4-[[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846548
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900456
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 163339877) is [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is Cn1cccc1C(=O)N1CCCC1COc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is NHPDJGWVLWWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-23-10-3-5-20(23)22(27)25-11-2-4-18(25)16-29-19-8-6-17(7-9-19)21(26)24-12-14-28-15-13-24/h3,5-10,18H,2,4,11-16H2,1H3.
What are the key properties of [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 397.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163339877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).