4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

C22H33ClN2O2 — CID 126802070

IUPAC4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(CC(=O)N1CCC[C@H](CN2CCOCC2)C1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H33ClN2O2/c1-22(2,14-18-5-7-20(23)8-6-18)15-21(26)25-9-3-4-19(17-25)16-24-10-12-27-13-11-24/h5-8,19H,3-4,9-17H2,1-2H3/t19-/m1/s1
InChIKeyKJWMMTBUGOWGPU-LJQANCHMSA-N
MW392.97 g/mol
LogP3.87
Rot. Bonds6

About 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 126802070) has the molecular formula C22H33ClN2O2 and a molecular weight of 392.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID126802070
Molecular FormulaC22H33ClN2O2
Molecular Weight392.97 g/mol
Exact Mass392.22
IUPAC Name4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(CC(=O)N1CCC[C@H](CN2CCOCC2)C1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H33ClN2O2/c1-22(2,14-18-5-7-20(23)8-6-18)15-21(26)25-9-3-4-19(17-25)16-24-10-12-27-13-11-24/h5-8,19H,3-4,9-17H2,1-2H3/t19-/m1/s1
InChIKeyKJWMMTBUGOWGPU-LJQANCHMSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

4-(4-chlorophenyl)-3,3-dimethyl-1-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 126800387
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 91793315
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
4-(4-chlorophenyl)-1-(1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)-3,3-dimethylbutan-1-one
CID 126800733
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241822
(2,3-dimethyl-5-methylsulfonylphenyl)-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 154755820

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (CID 126802070) is 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is CC(C)(CC(=O)N1CCC[C@H](CN2CCOCC2)C1)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is KJWMMTBUGOWGPU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33ClN2O2/c1-22(2,14-18-5-7-20(23)8-6-18)15-21(26)25-9-3-4-19(17-25)16-24-10-12-27-13-11-24/h5-8,19H,3-4,9-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 392.97 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 126802070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).