1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one

C20H33N3O — CID 155739865

IUPAC1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
SMILESCCC(=O)C1CCC(CN2CCC(n3cc(CC)cn3)CC2)CC1
InChIInChI=1S/C20H33N3O/c1-3-16-13-21-23(15-16)19-9-11-22(12-10-19)14-17-5-7-18(8-6-17)20(24)4-2/h13,15,17-19H,3-12,14H2,1-2H3
InChIKeyWVPBGYPYOOBHLG-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.87
Rot. Bonds6

About 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one

1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one (PubChem CID 155739865) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
PubChem CID155739865
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
SMILESCCC(=O)C1CCC(CN2CCC(n3cc(CC)cn3)CC2)CC1
InChIInChI=1S/C20H33N3O/c1-3-16-13-21-23(15-16)19-9-11-22(12-10-19)14-17-5-7-18(8-6-17)20(24)4-2/h13,15,17-19H,3-12,14H2,1-2H3
InChIKeyWVPBGYPYOOBHLG-UHFFFAOYSA-N
XLogP3.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one?
The IUPAC name of 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one (CID 155739865) is 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one?
The canonical SMILES for 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one is CCC(=O)C1CCC(CN2CCC(n3cc(CC)cn3)CC2)CC1.
What is the InChIKey of 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one?
The InChIKey is WVPBGYPYOOBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-16-13-21-23(15-16)19-9-11-22(12-10-19)14-17-5-7-18(8-6-17)20(24)4-2/h13,15,17-19H,3-12,14H2,1-2H3.
What are the key properties of 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one?
1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one has a molecular weight of 331.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one is sourced from PubChem (CID 155739865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).