1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one

C17H20N2O2 — CID 71770679

IUPAC1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H20N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11,13,18H,6-10H2,1H3
InChIKeyAWTNCVWSLWPPIR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.00
Rot. Bonds3

About 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one

1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one (PubChem CID 71770679) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one
PubChem CID71770679
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H20N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11,13,18H,6-10H2,1H3
InChIKeyAWTNCVWSLWPPIR-UHFFFAOYSA-N
XLogP3.00
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one (CID 71770679) is 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one?
The InChIKey is AWTNCVWSLWPPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11,13,18H,6-10H2,1H3.
What are the key properties of 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one?
1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propan-2-one is sourced from PubChem (CID 71770679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).