[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C23H27N3O4 — CID 163339973

IUPAC[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1cccc(C(=O)N2CCCC2COc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H27N3O4/c1-17-4-2-6-21(24-17)23(28)26-11-3-5-19(26)16-30-20-9-7-18(8-10-20)22(27)25-12-14-29-15-13-25/h2,4,6-10,19H,3,5,11-16H2,1H3
InChIKeyJQVJMJFQSNXIJZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.55
Rot. Bonds5

About [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 163339973) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID163339973
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1cccc(C(=O)N2CCCC2COc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H27N3O4/c1-17-4-2-6-21(24-17)23(28)26-11-3-5-19(26)16-30-20-9-7-18(8-10-20)22(27)25-12-14-29-15-13-25/h2,4,6-10,19H,3,5,11-16H2,1H3
InChIKeyJQVJMJFQSNXIJZ-UHFFFAOYSA-N
XLogP2.55
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 163339790
[4-[[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900487
[4-[[1-(3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339935
[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339877
[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339439
3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
CID 163339484
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
2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339605
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 163339973) is [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is Cc1cccc(C(=O)N2CCCC2COc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JQVJMJFQSNXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17-4-2-6-21(24-17)23(28)26-11-3-5-19(26)16-30-20-9-7-18(8-10-20)22(27)25-12-14-29-15-13-25/h2,4,6-10,19H,3,5,11-16H2,1H3.
What are the key properties of [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 409.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163339973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).