2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride

C21H30ClN3O2 — CID 66739507

IUPAC2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride
SMILESCC(C)n1cc(C(=O)C(=O)NCCCN2CCCCC2)c2ccccc21.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-16(2)24-15-18(17-9-4-5-10-19(17)24)20(25)21(26)22-11-8-14-23-12-6-3-7-13-23;/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3,(H,22,26);1H
InChIKeyRACVNHQVLBPWTE-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.82
Rot. Bonds7

About 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride

2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride (PubChem CID 66739507) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride
PubChem CID66739507
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride
SMILESCC(C)n1cc(C(=O)C(=O)NCCCN2CCCCC2)c2ccccc21.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-16(2)24-15-18(17-9-4-5-10-19(17)24)20(25)21(26)22-11-8-14-23-12-6-3-7-13-23;/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3,(H,22,26);1H
InChIKeyRACVNHQVLBPWTE-UHFFFAOYSA-N
XLogP3.82
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride (CID 66739507) is 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride is CC(C)n1cc(C(=O)C(=O)NCCCN2CCCCC2)c2ccccc21.Cl.
What is the InChIKey of 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride?
The InChIKey is RACVNHQVLBPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-16(2)24-15-18(17-9-4-5-10-19(17)24)20(25)21(26)22-11-8-14-23-12-6-3-7-13-23;/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3,(H,22,26);1H.
What are the key properties of 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride?
2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 66739507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).