(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one

C14H18N2O — CID 129387189

IUPAC(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@H]1C[C@@H]1CCCCN1
InChIInChI=1S/C14H18N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-2,6-7,10,12,15H,3-5,8-9H2,(H,16,17)/t10-,12+/m0/s1
InChIKeyUXKSDGGMZXSNQZ-CMPLNLGQSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds2

About (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one

(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one (PubChem CID 129387189) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one
PubChem CID129387189
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@H]1C[C@@H]1CCCCN1
InChIInChI=1S/C14H18N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-2,6-7,10,12,15H,3-5,8-9H2,(H,16,17)/t10-,12+/m0/s1
InChIKeyUXKSDGGMZXSNQZ-CMPLNLGQSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
CID 117363131
3-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 70440034
3-(2-oxo-1,3-dihydroindol-3-yl)propanal
CID 86190152
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
3-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43370920
4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
CID 117332934
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 117030559
diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
CID 101469589
2-(piperidin-2-ylmethyl)aniline
CID 84662844
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 2803153

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one (CID 129387189) is (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2[C@H]1C[C@@H]1CCCCN1.
What is the InChIKey of (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is UXKSDGGMZXSNQZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-2,6-7,10,12,15H,3-5,8-9H2,(H,16,17)/t10-,12+/m0/s1.
What are the key properties of (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one?
(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 129387189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).