2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone

C13H25N3O2 — CID 56802686

IUPAC2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(O)CN1CCN(C(=O)CN(C)C2CC2)CC1
InChIInChI=1S/C13H25N3O2/c1-11(17)9-15-5-7-16(8-6-15)13(18)10-14(2)12-3-4-12/h11-12,17H,3-10H2,1-2H3
InChIKeyKGYANPPHRONLMF-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.39
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone (PubChem CID 56802686) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
PubChem CID56802686
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(O)CN1CCN(C(=O)CN(C)C2CC2)CC1
InChIInChI=1S/C13H25N3O2/c1-11(17)9-15-5-7-16(8-6-15)13(18)10-14(2)12-3-4-12/h11-12,17H,3-10H2,1-2H3
InChIKeyKGYANPPHRONLMF-UHFFFAOYSA-N
XLogP-0.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone (CID 56802686) is 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone is CC(O)CN1CCN(C(=O)CN(C)C2CC2)CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
The InChIKey is KGYANPPHRONLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(17)9-15-5-7-16(8-6-15)13(18)10-14(2)12-3-4-12/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone has a molecular weight of 255.36 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56802686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).