1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C20H24N4O — CID 23003787

IUPAC1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCN1CCC(c2c[nH]c3ccc(C(=O)CCc4cn[nH]c4)cc23)CC1
InChIInChI=1S/C20H24N4O/c1-24-8-6-15(7-9-24)18-13-21-19-4-3-16(10-17(18)19)20(25)5-2-14-11-22-23-12-14/h3-4,10-13,15,21H,2,5-9H2,1H3,(H,22,23)
InChIKeyZYVBWENXHWTRMS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.52
Rot. Bonds5

About 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 23003787) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID23003787
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCN1CCC(c2c[nH]c3ccc(C(=O)CCc4cn[nH]c4)cc23)CC1
InChIInChI=1S/C20H24N4O/c1-24-8-6-15(7-9-24)18-13-21-19-4-3-16(10-17(18)19)20(25)5-2-14-11-22-23-12-14/h3-4,10-13,15,21H,2,5-9H2,1H3,(H,22,23)
InChIKeyZYVBWENXHWTRMS-UHFFFAOYSA-N
XLogP3.52
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 23003787) is 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one is CN1CCC(c2c[nH]c3ccc(C(=O)CCc4cn[nH]c4)cc23)CC1.
What is the InChIKey of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is ZYVBWENXHWTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-24-8-6-15(7-9-24)18-13-21-19-4-3-16(10-17(18)19)20(25)5-2-14-11-22-23-12-14/h3-4,10-13,15,21H,2,5-9H2,1H3,(H,22,23).
What are the key properties of 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 336.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 23003787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).