[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C24H27ClN2O4 — CID 50846409

IUPAC[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1Cl)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H27ClN2O4/c25-21-7-3-1-5-19(21)23(28)26-11-9-18(10-12-26)17-31-22-8-4-2-6-20(22)24(29)27-13-15-30-16-14-27/h1-8,18H,9-17H2
InChIKeyYQXSCSRCTYDRLC-UHFFFAOYSA-N
MW442.94 g/mol
LogP3.74
Rot. Bonds5

About [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 50846409) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID50846409
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1Cl)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H27ClN2O4/c25-21-7-3-1-5-19(21)23(28)26-11-9-18(10-12-26)17-31-22-8-4-2-6-20(22)24(29)27-13-15-30-16-14-27/h1-8,18H,9-17H2
InChIKeyYQXSCSRCTYDRLC-UHFFFAOYSA-N
XLogP3.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 50846376
(3-fluorophenyl)-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 50846441
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
(2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one
CID 29310484
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
1-[4-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 50846663
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46295281
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 50846409) is [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone is O=C(c1ccccc1Cl)N1CCC(COc2ccccc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YQXSCSRCTYDRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c25-21-7-3-1-5-19(21)23(28)26-11-9-18(10-12-26)17-31-22-8-4-2-6-20(22)24(29)27-13-15-30-16-14-27/h1-8,18H,9-17H2.
What are the key properties of [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 442.94 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50846409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).