1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide

C18H23N3O2 — CID 1257315

IUPAC1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(C)n(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-12-13(2)21(16-6-4-3-5-15(12)16)17(22)11-20-9-7-14(8-10-20)18(19)23/h3-6,14H,7-11H2,1-2H3,(H2,19,23)
InChIKeyWEPXHDOZVVEXMF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.10
Rot. Bonds3

About 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 1257315) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID1257315
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(C)n(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-12-13(2)21(16-6-4-3-5-15(12)16)17(22)11-20-9-7-14(8-10-20)18(19)23/h3-6,14H,7-11H2,1-2H3,(H2,19,23)
InChIKeyWEPXHDOZVVEXMF-UHFFFAOYSA-N
XLogP2.10
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 121896
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CID 9996305
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CID 122162
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CID 91668531
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CID 249414
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CID 181567
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CID 9863281
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CID 10337896
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CID 182203
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CID 44445554
CID 44445554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide (CID 1257315) is 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide is Cc1c(C)n(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc12.
What is the InChIKey of 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WEPXHDOZVVEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-13(2)21(16-6-4-3-5-15(12)16)17(22)11-20-9-7-14(8-10-20)18(19)23/h3-6,14H,7-11H2,1-2H3,(H2,19,23).
What are the key properties of 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 1257315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).