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

C18H24N2O4 — CID 122033820

IUPAC4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H24N2O4/c21-17(20-9-11-24-12-10-20)13-1-5-15(6-2-13)19-16-7-3-14(4-8-16)18(22)23/h1-2,5-6,14,16,19H,3-4,7-12H2,(H,22,23)
InChIKeyBFCBVBIDJJFSBY-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.21
Rot. Bonds4

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

4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid (PubChem CID 122033820) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
PubChem CID122033820
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H24N2O4/c21-17(20-9-11-24-12-10-20)13-1-5-15(6-2-13)19-16-7-3-14(4-8-16)18(22)23/h1-2,5-6,14,16,19H,3-4,7-12H2,(H,22,23)
InChIKeyBFCBVBIDJJFSBY-UHFFFAOYSA-N
XLogP2.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1080146
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244727
[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone
CID 177024710
4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667388
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122104210
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248

Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid (CID 122033820) is 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
The InChIKey is BFCBVBIDJJFSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(20-9-11-24-12-10-20)13-1-5-15(6-2-13)19-16-7-3-14(4-8-16)18(22)23/h1-2,5-6,14,16,19H,3-4,7-12H2,(H,22,23).
What are the key properties of 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122033820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).