1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one

C19H34N4O — CID 50985080

IUPAC1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one
SMILESCc1nn(C)c(C)c1CN(CCC(=O)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C19H34N4O/c1-14(2)22(13-18-16(4)20-21(6)17(18)5)11-9-19(24)23-10-7-8-15(3)12-23/h14-15H,7-13H2,1-6H3
InChIKeyLJXJOFHISFXTKR-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.90
Rot. Bonds6

About 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one

1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one (PubChem CID 50985080) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one
PubChem CID50985080
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one
SMILESCc1nn(C)c(C)c1CN(CCC(=O)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C19H34N4O/c1-14(2)22(13-18-16(4)20-21(6)17(18)5)11-9-19(24)23-10-7-8-15(3)12-23/h14-15H,7-13H2,1-6H3
InChIKeyLJXJOFHISFXTKR-UHFFFAOYSA-N
XLogP2.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one (CID 50985080) is 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one is Cc1nn(C)c(C)c1CN(CCC(=O)N1CCCC(C)C1)C(C)C.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one?
The InChIKey is LJXJOFHISFXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-14(2)22(13-18-16(4)20-21(6)17(18)5)11-9-19(24)23-10-7-8-15(3)12-23/h14-15H,7-13H2,1-6H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one?
1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one has a molecular weight of 334.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 50985080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).