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

C18H25N3O2 — CID 659851

IUPAC1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESCc1c(C(O)CN2CCC(C(N)=O)CC2)c2ccccc2n1C
InChIInChI=1S/C18H25N3O2/c1-12-17(14-5-3-4-6-15(14)20(12)2)16(22)11-21-9-7-13(8-10-21)18(19)23/h3-6,13,16,22H,7-11H2,1-2H3,(H2,19,23)
InChIKeyGJVDYXXRRVDGED-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.72
Rot. Bonds4

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

1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide (PubChem CID 659851) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide
PubChem CID659851
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESCc1c(C(O)CN2CCC(C(N)=O)CC2)c2ccccc2n1C
InChIInChI=1S/C18H25N3O2/c1-12-17(14-5-3-4-6-15(14)20(12)2)16(22)11-21-9-7-13(8-10-21)18(19)23/h3-6,13,16,22H,7-11H2,1-2H3,(H2,19,23)
InChIKeyGJVDYXXRRVDGED-UHFFFAOYSA-N
XLogP1.72
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide (CID 659851) is 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide is Cc1c(C(O)CN2CCC(C(N)=O)CC2)c2ccccc2n1C.
What is the InChIKey of 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
The InChIKey is GJVDYXXRRVDGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-17(14-5-3-4-6-15(14)20(12)2)16(22)11-21-9-7-13(8-10-21)18(19)23/h3-6,13,16,22H,7-11H2,1-2H3,(H2,19,23).
What are the key properties of 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 659851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).