3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one

C24H34N2O4 — CID 163339484

IUPAC3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(c1ccc(OCC2CCCN2C(=O)CCC2CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C24H34N2O4/c27-23(12-7-19-4-1-2-5-19)26-13-3-6-21(26)18-30-22-10-8-20(9-11-22)24(28)25-14-16-29-17-15-25/h8-11,19,21H,1-7,12-18H2
InChIKeyMDLONCWDSKZSNC-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.50
Rot. Bonds7

About 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 163339484) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID163339484
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(c1ccc(OCC2CCCN2C(=O)CCC2CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C24H34N2O4/c27-23(12-7-19-4-1-2-5-19)26-13-3-6-21(26)18-30-22-10-8-20(9-11-22)24(28)25-14-16-29-17-15-25/h8-11,19,21H,1-7,12-18H2
InChIKeyMDLONCWDSKZSNC-UHFFFAOYSA-N
XLogP3.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339877
morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 163339790
2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339605
[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339439
[4-[[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900487
[4-[[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846548
[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339973
[4-[[1-(3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339935
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900456
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097768
N-(2-methoxyphenyl)-2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340101

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one (CID 163339484) is 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one is O=C(c1ccc(OCC2CCCN2C(=O)CCC2CCCC2)cc1)N1CCOCC1.
What is the InChIKey of 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is MDLONCWDSKZSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c27-23(12-7-19-4-1-2-5-19)26-13-3-6-21(26)18-30-22-10-8-20(9-11-22)24(28)25-14-16-29-17-15-25/h8-11,19,21H,1-7,12-18H2.
What are the key properties of 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 414.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 163339484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).