3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one

C16H27N5O2 — CID 120982966

IUPAC3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1cc(C2(C)CN(CCC(=O)N3CCNCC3)CCO2)cn1
InChIInChI=1S/C16H27N5O2/c1-16(14-11-18-19(2)12-14)13-20(9-10-23-16)6-3-15(22)21-7-4-17-5-8-21/h11-12,17H,3-10,13H2,1-2H3
InChIKeyKXYHNNRWSDSFSQ-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.21
Rot. Bonds4

About 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one

3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982966) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982966
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1cc(C2(C)CN(CCC(=O)N3CCNCC3)CCO2)cn1
InChIInChI=1S/C16H27N5O2/c1-16(14-11-18-19(2)12-14)13-20(9-10-23-16)6-3-15(22)21-7-4-17-5-8-21/h11-12,17H,3-10,13H2,1-2H3
InChIKeyKXYHNNRWSDSFSQ-UHFFFAOYSA-N
XLogP-0.21
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one (CID 120982966) is 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one is Cn1cc(C2(C)CN(CCC(=O)N3CCNCC3)CCO2)cn1.
What is the InChIKey of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is KXYHNNRWSDSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-16(14-11-18-19(2)12-14)13-20(9-10-23-16)6-3-15(22)21-7-4-17-5-8-21/h11-12,17H,3-10,13H2,1-2H3.
What are the key properties of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 321.43 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).