2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone

C22H30N2O4 — CID 110079156

IUPAC2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone
SMILESO=C(C[C@H]1CN(C(=O)CC2CC2)CC[C@@H]1Oc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H30N2O4/c25-21(14-17-6-7-17)24-9-8-20(28-19-4-2-1-3-5-19)18(16-24)15-22(26)23-10-12-27-13-11-23/h1-5,17-18,20H,6-16H2/t18-,20-/m0/s1
InChIKeyNUVKDECHOMIZPR-ICSRJNTNSA-N
MW386.49 g/mol
LogP2.33
Rot. Bonds6

About 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone

2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone (PubChem CID 110079156) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone
PubChem CID110079156
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone
SMILESO=C(C[C@H]1CN(C(=O)CC2CC2)CC[C@@H]1Oc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H30N2O4/c25-21(14-17-6-7-17)24-9-8-20(28-19-4-2-1-3-5-19)18(16-24)15-22(26)23-10-12-27-13-11-23/h1-5,17-18,20H,6-16H2/t18-,20-/m0/s1
InChIKeyNUVKDECHOMIZPR-ICSRJNTNSA-N
XLogP2.33
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(3S,4S)-1-[2-(2-ethylimidazol-1-yl)acetyl]-4-phenoxypiperidin-3-yl]-1-morpholin-4-ylethanone
CID 110079176
1-[3-[(3S,4S)-4-(4-fluorophenoxy)-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 110078423
2-[(3S,4S)-4-(4-chlorophenoxy)-1-[2-(4-methylpiperidin-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078151
2-[(3S,4S)-1-[2-(3-chlorophenyl)acetyl]-4-(4-fluorophenoxy)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078430
2-[(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(4-chlorophenoxy)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078162
N-[2-[(3S,4S)-4-(4-chlorophenoxy)-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110078120
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078438
2-[(3S,4S)-4-(3-chlorophenoxy)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078587
1-[2-[(3S,4S)-4-(3-chlorophenoxy)-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110078576
1-[3-oxo-3-[(3S,4S)-3-(2-oxo-2-piperidin-1-ylethyl)-4-phenoxypiperidin-1-yl]propyl]pyrrolidin-2-one
CID 110164646
2-[(3S,4S)-4-(4-fluorophenoxy)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078463
2-[(3S,4S)-4-(4-chlorophenoxy)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110164628

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone (CID 110079156) is 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone is O=C(C[C@H]1CN(C(=O)CC2CC2)CC[C@@H]1Oc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone?
The InChIKey is NUVKDECHOMIZPR-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H30N2O4/c25-21(14-17-6-7-17)24-9-8-20(28-19-4-2-1-3-5-19)18(16-24)15-22(26)23-10-12-27-13-11-23/h1-5,17-18,20H,6-16H2/t18-,20-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone?
2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone has a molecular weight of 386.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3S,4S)-3-(2-morpholin-4-yl-2-oxoethyl)-4-phenoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 110079156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).