1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone

C25H30N2O3 — CID 46166988

IUPAC1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone
SMILESCc1cccc(C2CC(C(=O)N3CCOCC3)CN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C25H30N2O3/c1-19-6-5-9-21(14-19)22-16-23(25(29)26-10-12-30-13-11-26)18-27(17-22)24(28)15-20-7-3-2-4-8-20/h2-9,14,22-23H,10-13,15-18H2,1H3
InChIKeyGXAJECCLZPWWDT-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.03
Rot. Bonds4

About 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone

1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 46166988) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone
PubChem CID46166988
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone
SMILESCc1cccc(C2CC(C(=O)N3CCOCC3)CN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C25H30N2O3/c1-19-6-5-9-21(14-19)22-16-23(25(29)26-10-12-30-13-11-26)18-27(17-22)24(28)15-20-7-3-2-4-8-20/h2-9,14,22-23H,10-13,15-18H2,1H3
InChIKeyGXAJECCLZPWWDT-UHFFFAOYSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 42865360
1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 46065202
1-[(3S,5R)-3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 92995292
[1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone
CID 42868439
3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
(2R,5S)-2-(3-methylphenyl)-5-(morpholine-4-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 93328379
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
ethyl (3R)-1-[(3R,5R)-1-acetyl-5-(3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 92995295
2-phenyl-1-[3-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 71955404
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone (CID 46166988) is 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone is Cc1cccc(C2CC(C(=O)N3CCOCC3)CN(C(=O)Cc3ccccc3)C2)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is GXAJECCLZPWWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-19-6-5-9-21(14-19)22-16-23(25(29)26-10-12-30-13-11-26)18-27(17-22)24(28)15-20-7-3-2-4-8-20/h2-9,14,22-23H,10-13,15-18H2,1H3.
What are the key properties of 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone?
1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 406.53 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 46166988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).