3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one

C23H26F2N2O — CID 86936518

IUPAC3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C23H26F2N2O/c24-20-7-5-17(15-21(20)25)6-8-23(28)26-12-9-18(10-13-26)16-27-14-11-19-3-1-2-4-22(19)27/h1-5,7,15,18H,6,8-14,16H2
InChIKeyAWANJUGOOBRCRO-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.20
Rot. Bonds5

About 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one

3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 86936518) has the molecular formula C23H26F2N2O and a molecular weight of 384.47 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID86936518
Molecular FormulaC23H26F2N2O
Molecular Weight384.47 g/mol
Exact Mass384.20
IUPAC Name3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C23H26F2N2O/c24-20-7-5-17(15-21(20)25)6-8-23(28)26-12-9-18(10-13-26)16-27-14-11-19-3-1-2-4-22(19)27/h1-5,7,15,18H,6,8-14,16H2
InChIKeyAWANJUGOOBRCRO-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 86936560
2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
CID 86936566
3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 123580966
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119861404
(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 124623164
(E)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 154872105
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
(3S)-1'-[3-(3,4-difluorophenyl)propanoyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92576137
2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
CID 119178286
1-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 140911761

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 86936518) is 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one is O=C(CCc1ccc(F)c(F)c1)N1CCC(CN2CCc3ccccc32)CC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is AWANJUGOOBRCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O/c24-20-7-5-17(15-21(20)25)6-8-23(28)26-12-9-18(10-13-26)16-27-14-11-19-3-1-2-4-22(19)27/h1-5,7,15,18H,6,8-14,16H2.
What are the key properties of 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 384.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86936518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).