3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one

C23H27N3O — CID 91082876

IUPAC3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(CNC3CCCNC3c3ccccc3)cc2C1C1CC1
InChIInChI=1S/C23H27N3O/c27-23-21(16-9-10-16)18-13-15(8-11-19(18)26-23)14-25-20-7-4-12-24-22(20)17-5-2-1-3-6-17/h1-3,5-6,8,11,13,16,20-22,24-25H,4,7,9-10,12,14H2,(H,26,27)
InChIKeyIZLAVNPGMSPFMG-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.72
Rot. Bonds5

About 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one

3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one (PubChem CID 91082876) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one
PubChem CID91082876
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(CNC3CCCNC3c3ccccc3)cc2C1C1CC1
InChIInChI=1S/C23H27N3O/c27-23-21(16-9-10-16)18-13-15(8-11-19(18)26-23)14-25-20-7-4-12-24-22(20)17-5-2-1-3-6-17/h1-3,5-6,8,11,13,16,20-22,24-25H,4,7,9-10,12,14H2,(H,26,27)
InChIKeyIZLAVNPGMSPFMG-UHFFFAOYSA-N
XLogP3.72
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
CID 57162412
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
CID 11695097
N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 70202619
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one (CID 91082876) is 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(CNC3CCCNC3c3ccccc3)cc2C1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is IZLAVNPGMSPFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23-21(16-9-10-16)18-13-15(8-11-19(18)26-23)14-25-20-7-4-12-24-22(20)17-5-2-1-3-6-17/h1-3,5-6,8,11,13,16,20-22,24-25H,4,7,9-10,12,14H2,(H,26,27).
What are the key properties of 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one?
3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 361.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91082876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).