3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

C23H33FN2O2 — CID 110304874

IUPAC3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C(CC(=O)N2CCC(CN3CCOCC3)CC2)C2CC2)ccc1F
InChIInChI=1S/C23H33FN2O2/c1-17-14-20(4-5-22(17)24)21(19-2-3-19)15-23(27)26-8-6-18(7-9-26)16-25-10-12-28-13-11-25/h4-5,14,18-19,21H,2-3,6-13,15-16H2,1H3
InChIKeyZHOYZCHHVQZDPQ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.59
Rot. Bonds6

About 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 110304874) has the molecular formula C23H33FN2O2 and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID110304874
Molecular FormulaC23H33FN2O2
Molecular Weight388.53 g/mol
Exact Mass388.25
IUPAC Name3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C(CC(=O)N2CCC(CN3CCOCC3)CC2)C2CC2)ccc1F
InChIInChI=1S/C23H33FN2O2/c1-17-14-20(4-5-22(17)24)21(19-2-3-19)15-23(27)26-8-6-18(7-9-26)16-25-10-12-28-13-11-25/h4-5,14,18-19,21H,2-3,6-13,15-16H2,1H3
InChIKeyZHOYZCHHVQZDPQ-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417225
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110297431
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
CID 110673883
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 81087000
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
4-(3,4-dimethylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110624580
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
ethyl 4-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazine-1-carboxylate
CID 110297519
4-[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]-3-(4-fluorophenyl)piperazin-2-one
CID 110426002

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 110304874) is 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is Cc1cc(C(CC(=O)N2CCC(CN3CCOCC3)CC2)C2CC2)ccc1F.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ZHOYZCHHVQZDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O2/c1-17-14-20(4-5-22(17)24)21(19-2-3-19)15-23(27)26-8-6-18(7-9-26)16-25-10-12-28-13-11-25/h4-5,14,18-19,21H,2-3,6-13,15-16H2,1H3.
What are the key properties of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 388.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110304874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).