1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide

C20H27N3O2 — CID 110795645

IUPAC1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2c(C)n(C)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-14-17(18-6-4-5-7-19(18)22(14)3)8-11-21-20(25)16-9-12-23(13-10-16)15(2)24/h4-7,16H,8-13H2,1-3H3,(H,21,25)
InChIKeySDIQKQCEMAHJIM-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.40
Rot. Bonds4

About 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 110795645) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID110795645
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2c(C)n(C)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-14-17(18-6-4-5-7-19(18)22(14)3)8-11-21-20(25)16-9-12-23(13-10-16)15(2)24/h4-7,16H,8-13H2,1-3H3,(H,21,25)
InChIKeySDIQKQCEMAHJIM-UHFFFAOYSA-N
XLogP2.40
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
CID 110796185
1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 110794090
N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
CID 86829245
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide (CID 110795645) is 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2c(C)n(C)c3ccccc23)CC1.
What is the InChIKey of 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is SDIQKQCEMAHJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-17(18-6-4-5-7-19(18)22(14)3)8-11-21-20(25)16-9-12-23(13-10-16)15(2)24/h4-7,16H,8-13H2,1-3H3,(H,21,25).
What are the key properties of 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110795645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).