6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one

C14H18ClN3O — CID 80553609

IUPAC6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCC3CCCNC3)c(Cl)cc2N1
InChIInChI=1S/C14H18ClN3O/c15-11-6-12-10(5-14(19)18-12)4-13(11)17-8-9-2-1-3-16-7-9/h4,6,9,16-17H,1-3,5,7-8H2,(H,18,19)
InChIKeyIOSUTKFLNGEVKX-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.25
Rot. Bonds3

About 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one

6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 80553609) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID80553609
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCC3CCCNC3)c(Cl)cc2N1
InChIInChI=1S/C14H18ClN3O/c15-11-6-12-10(5-14(19)18-12)4-13(11)17-8-9-2-1-3-16-7-9/h4,6,9,16-17H,1-3,5,7-8H2,(H,18,19)
InChIKeyIOSUTKFLNGEVKX-UHFFFAOYSA-N
XLogP2.25
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-piperidin-3-ylacetamide
CID 62676310
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
6-chloro-2-oxo-N-[(3S)-piperidin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 104982613
2-chloro-4-fluoro-5-methyl-N-(piperidin-3-ylmethyl)aniline
CID 112734596
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
2-oxo-N-(piperidin-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102711450
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 79458648
6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43457516
6-chloro-5-[(1-oxothian-4-yl)amino]-1,3-dihydroindol-2-one
CID 54981279
6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one
CID 65084091
5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 43691682

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one (CID 80553609) is 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Cc2cc(NCC3CCCNC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is IOSUTKFLNGEVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-11-6-12-10(5-14(19)18-12)4-13(11)17-8-9-2-1-3-16-7-9/h4,6,9,16-17H,1-3,5,7-8H2,(H,18,19).
What are the key properties of 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one?
6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 279.77 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 80553609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).