2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone

C13H18ClN3O2 — CID 143061887

IUPAC2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)CN)CC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-19-12-8-10(2-3-11(12)14)16-4-6-17(7-5-16)13(18)9-15/h2-3,8H,4-7,9,15H2,1H3
InChIKeyHCVHGROKZDFNSK-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone

2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 143061887) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID143061887
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)CN)CC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-19-12-8-10(2-3-11(12)14)16-4-6-17(7-5-16)13(18)9-15/h2-3,8H,4-7,9,15H2,1H3
InChIKeyHCVHGROKZDFNSK-UHFFFAOYSA-N
XLogP0.96
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-4-chloro-3-iodopyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 163998122
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
N'-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylamino]-2,2,2-trifluoroethanimidamide
CID 143061825
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone
CID 58644935
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-3-methyl-5-propan-2-ylpyrazol-1-yl)ethanone
CID 142843277
3-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-hydroxy-1,3-benzoxazol-2-one
CID 58834349
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 70829636
acetylene;2-[1-aminopropan-2-yl-[(Z)-(3-chloro-1,1-difluoropropan-2-ylidene)amino]amino]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061760
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[[(Z)-(1-chloro-4,4,4-trifluorobutan-2-ylidene)amino]-ethylamino]ethanone
CID 143061332
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
CID 142790163
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone (CID 143061887) is 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone is COc1cc(N2CCN(C(=O)CN)CC2)ccc1Cl.
What is the InChIKey of 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is HCVHGROKZDFNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-19-12-8-10(2-3-11(12)14)16-4-6-17(7-5-16)13(18)9-15/h2-3,8H,4-7,9,15H2,1H3.
What are the key properties of 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 283.76 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143061887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).