3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

C20H34N4O2 — CID 45242929

IUPAC3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCCn1cc(CN2CCCC(CCC(=O)N3CCOCC3)C2)c(C)n1
InChIInChI=1S/C20H34N4O2/c1-3-8-24-16-19(17(2)21-24)15-22-9-4-5-18(14-22)6-7-20(25)23-10-12-26-13-11-23/h16,18H,3-15H2,1-2H3
InChIKeyNBJRMGIKJRQZSZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.45
Rot. Bonds7

About 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 45242929) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID45242929
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCCn1cc(CN2CCCC(CCC(=O)N3CCOCC3)C2)c(C)n1
InChIInChI=1S/C20H34N4O2/c1-3-8-24-16-19(17(2)21-24)15-22-9-4-5-18(14-22)6-7-20(25)23-10-12-26-13-11-23/h16,18H,3-15H2,1-2H3
InChIKeyNBJRMGIKJRQZSZ-UHFFFAOYSA-N
XLogP2.45
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (CID 45242929) is 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is CCCn1cc(CN2CCCC(CCC(=O)N3CCOCC3)C2)c(C)n1.
What is the InChIKey of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NBJRMGIKJRQZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-8-24-16-19(17(2)21-24)15-22-9-4-5-18(14-22)6-7-20(25)23-10-12-26-13-11-23/h16,18H,3-15H2,1-2H3.
What are the key properties of 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 362.52 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 45242929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).