2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

C18H27N3O3 — CID 120796728

IUPAC2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(N)C2CCOCC2)CC1
InChIInChI=1S/C18H27N3O3/c1-23-16-5-3-2-4-15(16)20-8-10-21(11-9-20)18(22)17(19)14-6-12-24-13-7-14/h2-5,14,17H,6-13,19H2,1H3
InChIKeyOJLJAJINJCCWAR-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120796728) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120796728
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(N)C2CCOCC2)CC1
InChIInChI=1S/C18H27N3O3/c1-23-16-5-3-2-4-15(16)20-8-10-21(11-9-20)18(22)17(19)14-6-12-24-13-7-14/h2-5,14,17H,6-13,19H2,1H3
InChIKeyOJLJAJINJCCWAR-UHFFFAOYSA-N
XLogP1.10
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791673
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
2-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(oxan-4-yl)ethanone
CID 120790062
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
(2S)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 22691105
2-amino-1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120791142
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide
CID 113097881
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110301118
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (CID 120796728) is 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is COc1ccccc1N1CCN(C(=O)C(N)C2CCOCC2)CC1.
What is the InChIKey of 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is OJLJAJINJCCWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-16-5-3-2-4-15(16)20-8-10-21(11-9-20)18(22)17(19)14-6-12-24-13-7-14/h2-5,14,17H,6-13,19H2,1H3.
What are the key properties of 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120796728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).