2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C13H24N2O2 — CID 99583114

IUPAC2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)COCC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)14-5-7-15(8-6-14)13(16)10-17-9-12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyDGSUAGBIHMIRTN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.97
Rot. Bonds5

About 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 99583114) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID99583114
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)COCC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)14-5-7-15(8-6-14)13(16)10-17-9-12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyDGSUAGBIHMIRTN-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
CID 176985365
2-[2-(7-methyloctoxy)ethoxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 171593629
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 59618609
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
CID 162750163
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
CID 119664585
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 99583114) is 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)COCC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DGSUAGBIHMIRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)14-5-7-15(8-6-14)13(16)10-17-9-12-3-4-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 99583114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).