6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one

C14H17ClN2O2 — CID 43457516

IUPAC6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)C3CCCNC3)c(Cl)cc2N1
InChIInChI=1S/C14H17ClN2O2/c15-11-6-12-9(5-13(18)17-12)4-10(11)14(19)8-2-1-3-16-7-8/h4,6,8,14,16,19H,1-3,5,7H2,(H,17,18)
InChIKeyQMMUPGPIXBKJFS-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.87
Rot. Bonds2

About 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43457516) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID43457516
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)C3CCCNC3)c(Cl)cc2N1
InChIInChI=1S/C14H17ClN2O2/c15-11-6-12-9(5-13(18)17-12)4-10(11)14(19)8-2-1-3-16-7-8/h4,6,8,14,16,19H,1-3,5,7H2,(H,17,18)
InChIKeyQMMUPGPIXBKJFS-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-piperidin-3-ylmethanol
CID 43330491
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104982613
5-[bromo(oxan-3-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63015097
6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 80553609
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-piperidin-3-ylacetamide
CID 62676310
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one (CID 43457516) is 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)C3CCCNC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is QMMUPGPIXBKJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-6-12-9(5-13(18)17-12)4-10(11)14(19)8-2-1-3-16-7-8/h4,6,8,14,16,19H,1-3,5,7H2,(H,17,18).
What are the key properties of 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 280.75 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).