2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one

C14H27N3O2 — CID 120992943

IUPAC2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-19-11-13(15)14(18)17-9-7-16(8-10-17)12-5-3-2-4-6-12/h12-13H,2-11,15H2,1H3
InChIKeyOIANTJORRMEXOY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one

2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one (PubChem CID 120992943) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one
PubChem CID120992943
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-19-11-13(15)14(18)17-9-7-16(8-10-17)12-5-3-2-4-6-12/h12-13H,2-11,15H2,1H3
InChIKeyOIANTJORRMEXOY-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62369792
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
CID 110708879
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 107217182
2-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 81101479
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
2-amino-3-methoxy-1-(1,4-thiazepan-4-yl)propan-1-one;hydrochloride
CID 120986257
(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
CID 93371854
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
2-amino-3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 81088519

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one (CID 120992943) is 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one is COCC(N)C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one?
The InChIKey is OIANTJORRMEXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-11-13(15)14(18)17-9-7-16(8-10-17)12-5-3-2-4-6-12/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one?
2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 120992943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).