3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide

C17H33N3O2 — CID 108960910

IUPAC3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C17H33N3O2/c1-6-9-19(10-7-2)15(21)17(4,5)16(22)20-13-11-18(8-3)12-14-20/h6-14H2,1-5H3
InChIKeyNBKGNSLRSFCWDG-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.83
Rot. Bonds7

About 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide

3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide (PubChem CID 108960910) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
PubChem CID108960910
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C17H33N3O2/c1-6-9-19(10-7-2)15(21)17(4,5)16(22)20-13-11-18(8-3)12-14-20/h6-14H2,1-5H3
InChIKeyNBKGNSLRSFCWDG-UHFFFAOYSA-N
XLogP1.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108961072
4-ethyl-N,N-dipropylpiperazine-1-carboxamide
CID 108988508
2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid
CID 61191959
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
CID 4167516
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
ethyl 4-[3-(diethylamino)-2,2-dimethyl-3-oxopropanoyl]piperazine-1-carboxylate
CID 108965329
N-cycloheptyl-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960902
2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide
CID 108957255
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide (CID 108960910) is 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(C)(C)C(=O)N1CCN(CC)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide?
The InChIKey is NBKGNSLRSFCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-9-19(10-7-2)15(21)17(4,5)16(22)20-13-11-18(8-3)12-14-20/h6-14H2,1-5H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide?
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide is sourced from PubChem (CID 108960910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).