1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one

C15H29N3O2 — CID 110603336

IUPAC1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-5-13(6-2)15(20)18-11-9-17(10-12-18)14(19)7-8-16(3)4/h13H,5-12H2,1-4H3
InChIKeyYKIKDZFUCQAKJG-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.05
Rot. Bonds6

About 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one

1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one (PubChem CID 110603336) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
PubChem CID110603336
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-5-13(6-2)15(20)18-11-9-17(10-12-18)14(19)7-8-16(3)4/h13H,5-12H2,1-4H3
InChIKeyYKIKDZFUCQAKJG-UHFFFAOYSA-N
XLogP1.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethylbutanoyl)piperazin-1-yl]pentane-1,4-dione
CID 108536740
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-methyl-2-(4-methylphenyl)butan-1-one
CID 110407634
4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
CID 110611593
methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
CID 110818049
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
1-(dimethylamino)-4-ethylhexan-3-one
CID 115345730
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one (CID 110603336) is 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one?
The InChIKey is YKIKDZFUCQAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-13(6-2)15(20)18-11-9-17(10-12-18)14(19)7-8-16(3)4/h13H,5-12H2,1-4H3.
What are the key properties of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one?
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one has a molecular weight of 283.42 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 110603336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).