2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone

C20H33N3O — CID 56550201

IUPAC2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H33N3O/c1-5-22(6-2)19(18-10-8-7-9-11-18)20(24)23-14-12-21(13-15-23)16-17(3)4/h7-11,17,19H,5-6,12-16H2,1-4H3
InChIKeyRAKOBGUKRNKCTR-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.87
Rot. Bonds7

About 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone

2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 56550201) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
PubChem CID56550201
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H33N3O/c1-5-22(6-2)19(18-10-8-7-9-11-18)20(24)23-14-12-21(13-15-23)16-17(3)4/h7-11,17,19H,5-6,12-16H2,1-4H3
InChIKeyRAKOBGUKRNKCTR-UHFFFAOYSA-N
XLogP2.87
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56509530
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
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 56540726
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56546917
2-(diethylamino)-1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 56552747
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 119594160
(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

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone (CID 56550201) is 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone is CCN(CC)C(C(=O)N1CCN(CC(C)C)CC1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is RAKOBGUKRNKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-5-22(6-2)19(18-10-8-7-9-11-18)20(24)23-14-12-21(13-15-23)16-17(3)4/h7-11,17,19H,5-6,12-16H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone?
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 331.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 56550201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).