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

C21H26N4O — CID 155983538

IUPAC3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1CC1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C21H26N4O/c1-15-12-23-24-20(15)11-16-5-4-10-25(14-16)21(26)9-8-17-13-22-19-7-3-2-6-18(17)19/h2-3,6-7,12-13,16,22H,4-5,8-11,14H2,1H3,(H,23,24)
InChIKeyDKFISMBJCKIYNY-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.61
Rot. Bonds5

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

3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 155983538) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID155983538
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1CC1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C21H26N4O/c1-15-12-23-24-20(15)11-16-5-4-10-25(14-16)21(26)9-8-17-13-22-19-7-3-2-6-18(17)19/h2-3,6-7,12-13,16,22H,4-5,8-11,14H2,1H3,(H,23,24)
InChIKeyDKFISMBJCKIYNY-UHFFFAOYSA-N
XLogP3.61
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one (CID 155983538) is 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one is Cc1cn[nH]c1CC1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is DKFISMBJCKIYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-12-23-24-20(15)11-16-5-4-10-25(14-16)21(26)9-8-17-13-22-19-7-3-2-6-18(17)19/h2-3,6-7,12-13,16,22H,4-5,8-11,14H2,1H3,(H,23,24).
What are the key properties of 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 350.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155983538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).