6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one

C17H21ClN2O2 — CID 126802115

IUPAC6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC1(C)CN(C(=O)CC2CCCC(=O)N2)c2cccc(Cl)c21
InChIInChI=1S/C17H21ClN2O2/c1-17(2)10-20(13-7-4-6-12(18)16(13)17)15(22)9-11-5-3-8-14(21)19-11/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,19,21)
InChIKeyNBUKPLXOGMQXCB-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.02
Rot. Bonds2

About 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one

6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 126802115) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID126802115
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC1(C)CN(C(=O)CC2CCCC(=O)N2)c2cccc(Cl)c21
InChIInChI=1S/C17H21ClN2O2/c1-17(2)10-20(13-7-4-6-12(18)16(13)17)15(22)9-11-5-3-8-14(21)19-11/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,19,21)
InChIKeyNBUKPLXOGMQXCB-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one (CID 126802115) is 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one is CC1(C)CN(C(=O)CC2CCCC(=O)N2)c2cccc(Cl)c21.
What is the InChIKey of 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is NBUKPLXOGMQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-17(2)10-20(13-7-4-6-12(18)16(13)17)15(22)9-11-5-3-8-14(21)19-11/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,19,21).
What are the key properties of 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one?
6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 320.82 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 126802115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).