2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one

C26H34N2O — CID 54364623

IUPAC2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccccc1)(C(c1ccccc1)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C26H34N2O/c1-26(28-20-12-5-13-21-28,25(29)23-16-8-3-9-17-23)24(22-14-6-2-7-15-22)27-18-10-4-11-19-27/h2-3,6-9,14-17,24H,4-5,10-13,18-21H2,1H3
InChIKeyUOXJNYUGVYWTFX-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.34
Rot. Bonds6

About 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one

2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one (PubChem CID 54364623) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one
PubChem CID54364623
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccccc1)(C(c1ccccc1)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C26H34N2O/c1-26(28-20-12-5-13-21-28,25(29)23-16-8-3-9-17-23)24(22-14-6-2-7-15-22)27-18-10-4-11-19-27/h2-3,6-9,14-17,24H,4-5,10-13,18-21H2,1H3
InChIKeyUOXJNYUGVYWTFX-UHFFFAOYSA-N
XLogP5.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
CID 59470641
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
(1R)-3,3-dimethyl-1-phenyl-1-pyrrolidin-1-ylbutan-2-one
CID 59470882
2-ethyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067649
1,2-diphenyl-1-pyrrolidin-1-ylpropan-2-amine
CID 43829706
3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one
CID 12688218
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 63196246
3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 69248199
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
tert-butyl 3-oxo-3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 70409759
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one (CID 54364623) is 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one is CC(C(=O)c1ccccc1)(C(c1ccccc1)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one?
The InChIKey is UOXJNYUGVYWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-26(28-20-12-5-13-21-28,25(29)23-16-8-3-9-17-23)24(22-14-6-2-7-15-22)27-18-10-4-11-19-27/h2-3,6-9,14-17,24H,4-5,10-13,18-21H2,1H3.
What are the key properties of 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one?
2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one has a molecular weight of 390.57 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-diphenyl-2,3-di(piperidin-1-yl)propan-1-one is sourced from PubChem (CID 54364623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).