1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one

C16H24ClN3O — CID 62833198

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-4-18-16(2,3)15(21)20-10-8-19(9-11-20)14-7-5-6-13(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3
InChIKeyNWKLSUBETZVIIK-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.38
Rot. Bonds4

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 62833198) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
PubChem CID62833198
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-4-18-16(2,3)15(21)20-10-8-19(9-11-20)14-7-5-6-13(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3
InChIKeyNWKLSUBETZVIIK-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
N-butan-2-yl-3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108958212
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one (CID 62833198) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is NWKLSUBETZVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-18-16(2,3)15(21)20-10-8-19(9-11-20)14-7-5-6-13(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 309.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 62833198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).