3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one

C14H18ClN3O2 — CID 81097444

IUPAC3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1(O)CCN(c2cc3c(cc2Cl)C(N)C(=O)N3)CC1
InChIInChI=1S/C14H18ClN3O2/c1-14(20)2-4-18(5-3-14)11-7-10-8(6-9(11)15)12(16)13(19)17-10/h6-7,12,20H,2-5,16H2,1H3,(H,17,19)
InChIKeyNVYWMULHXSCCNV-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.64
Rot. Bonds1

About 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 81097444) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID81097444
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1(O)CCN(c2cc3c(cc2Cl)C(N)C(=O)N3)CC1
InChIInChI=1S/C14H18ClN3O2/c1-14(20)2-4-18(5-3-14)11-7-10-8(6-9(11)15)12(16)13(19)17-10/h6-7,12,20H,2-5,16H2,1H3,(H,17,19)
InChIKeyNVYWMULHXSCCNV-UHFFFAOYSA-N
XLogP1.64
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one
CID 79349712
3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 79348753
3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 112625997
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79349803
5-chloro-6-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 107456625
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-chloro-3-hydroxy-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79336135
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870
3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 114593690
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
3-amino-5-bromo-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79342791

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 81097444) is 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one is CC1(O)CCN(c2cc3c(cc2Cl)C(N)C(=O)N3)CC1.
What is the InChIKey of 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is NVYWMULHXSCCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-14(20)2-4-18(5-3-14)11-7-10-8(6-9(11)15)12(16)13(19)17-10/h6-7,12,20H,2-5,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 295.77 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 81097444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).