[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

C17H27N3O — CID 63340870

IUPAC[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(C)(C)CN)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)16(21)19-9-11-20(12-10-19)17(2,3)13-18/h5-8H,4,9-13,18H2,1-3H3
InChIKeyMPJCIAFIJKUPJC-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.74
Rot. Bonds4

About [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 63340870) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
PubChem CID63340870
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(C)(C)CN)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)16(21)19-9-11-20(12-10-19)17(2,3)13-18/h5-8H,4,9-13,18H2,1-3H3
InChIKeyMPJCIAFIJKUPJC-UHFFFAOYSA-N
XLogP1.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46592446
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
(2S)-2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-methylpentan-1-one
CID 119730005
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107721319
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
[4-(4-ethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113075921
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone (CID 63340870) is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCN(C(C)(C)CN)CC2)cc1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is MPJCIAFIJKUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)16(21)19-9-11-20(12-10-19)17(2,3)13-18/h5-8H,4,9-13,18H2,1-3H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone?
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 289.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 63340870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).