4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid

C18H23NO4 — CID 177244727

IUPAC4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cccc(C(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C18H23NO4/c20-17(19-8-10-23-11-9-19)16-3-1-2-15(12-16)13-4-6-14(7-5-13)18(21)22/h1-3,12-14H,4-11H2,(H,21,22)
InChIKeyGKFNDZFRWGRSJK-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.52
Rot. Bonds3

About 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid

4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 177244727) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID177244727
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cccc(C(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C18H23NO4/c20-17(19-8-10-23-11-9-19)16-3-1-2-15(12-16)13-4-6-14(7-5-13)18(21)22/h1-3,12-14H,4-11H2,(H,21,22)
InChIKeyGKFNDZFRWGRSJK-UHFFFAOYSA-N
XLogP2.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
CID 122033820
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone
CID 171121608
4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244716
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322

Frequently Asked Questions

What is the IUPAC name of 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid (CID 177244727) is 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2cccc(C(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is GKFNDZFRWGRSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17(19-8-10-23-11-9-19)16-3-1-2-15(12-16)13-4-6-14(7-5-13)18(21)22/h1-3,12-14H,4-11H2,(H,21,22).
What are the key properties of 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid?
4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 177244727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).