2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone

C19H31N3O — CID 56509530

IUPAC2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
SMILESCCN(C)C(C(=O)N1CCN(CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-5-20(4)18(17-9-7-6-8-10-17)19(23)22-13-11-21(12-14-22)15-16(2)3/h6-10,16,18H,5,11-15H2,1-4H3
InChIKeyAVVXKRQNTDXGLO-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.48
Rot. Bonds6

About 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone

2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 56509530) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
PubChem CID56509530
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
SMILESCCN(C)C(C(=O)N1CCN(CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-5-20(4)18(17-9-7-6-8-10-17)19(23)22-13-11-21(12-14-22)15-16(2)3/h6-10,16,18H,5,11-15H2,1-4H3
InChIKeyAVVXKRQNTDXGLO-UHFFFAOYSA-N
XLogP2.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
CID 119663844
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
1-[1-[(2R)-2-[ethyl(methyl)amino]-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
CID 97099154
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522
2-[methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-N-propan-2-ylacetamide
CID 8913700
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
CID 95315157

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone (CID 56509530) is 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone is CCN(C)C(C(=O)N1CCN(CC(C)C)CC1)c1ccccc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is AVVXKRQNTDXGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-20(4)18(17-9-7-6-8-10-17)19(23)22-13-11-21(12-14-22)15-16(2)3/h6-10,16,18H,5,11-15H2,1-4H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 317.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 56509530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).