[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

C17H21ClN2O4 — CID 51275657

IUPAC[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN2O4/c18-13-1-2-15(21)14(11-13)17(23)19-5-3-12(4-6-19)16(22)20-7-9-24-10-8-20/h1-2,11-12,21H,3-10H2
InChIKeyHUVCYDDGCVVBOK-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.76
Rot. Bonds2

About [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 51275657) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID51275657
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN2O4/c18-13-1-2-15(21)14(11-13)17(23)19-5-3-12(4-6-19)16(22)20-7-9-24-10-8-20/h1-2,11-12,21H,3-10H2
InChIKeyHUVCYDDGCVVBOK-UHFFFAOYSA-N
XLogP1.76
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
[1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 47051901
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone
CID 112820830
(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
CID 135635018

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 51275657) is [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(Cl)ccc1O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HUVCYDDGCVVBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c18-13-1-2-15(21)14(11-13)17(23)19-5-3-12(4-6-19)16(22)20-7-9-24-10-8-20/h1-2,11-12,21H,3-10H2.
What are the key properties of [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 352.82 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51275657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).