1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide

C17H21N3O3 — CID 110793835

IUPAC1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H21N3O3/c1-11(21)20-6-4-13(5-7-20)17(23)18-10-12-2-3-15-14(8-12)9-16(22)19-15/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyHKOWXAYDILJJIG-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.06
Rot. Bonds3

About 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 110793835) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID110793835
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H21N3O3/c1-11(21)20-6-4-13(5-7-20)17(23)18-10-12-2-3-15-14(8-12)9-16(22)19-15/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyHKOWXAYDILJJIG-UHFFFAOYSA-N
XLogP1.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277
3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide
CID 115161516
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
4-cyclohexyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-2-carboxamide
CID 167745207
3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
CID 110781303
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid
CID 82489037
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
CID 110768127
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
6-oxo-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793824

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide (CID 110793835) is 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is HKOWXAYDILJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(21)20-6-4-13(5-7-20)17(23)18-10-12-2-3-15-14(8-12)9-16(22)19-15/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110793835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).