1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one

C15H31N3O — CID 110290316

IUPAC1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C15H31N3O/c1-6-7-8-15(19)17-11-13(2)18(14(3)12-17)10-9-16(4)5/h13-14H,6-12H2,1-5H3
InChIKeyNDIXXKUYFQDTBM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.66
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one

1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one (PubChem CID 110290316) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one
PubChem CID110290316
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C15H31N3O/c1-6-7-8-15(19)17-11-13(2)18(14(3)12-17)10-9-16(4)5/h13-14H,6-12H2,1-5H3
InChIKeyNDIXXKUYFQDTBM-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
CID 110290314
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 110308452
3-(3-chlorophenyl)-1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110629171
4-[3-(dimethylamino)propyl]-N,N-diethyl-3,5-dimethylpiperazine-1-carboxamide
CID 110290524
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-3-(4-fluorophenyl)hexan-1-one
CID 110354469
1-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110308523
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 110290389
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
2-[2-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110290357
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087
1-(2-chlorophenyl)-4-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]butane-1,4-dione
CID 110629280
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one (CID 110290316) is 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one is CCCCC(=O)N1CC(C)N(CCN(C)C)C(C)C1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one?
The InChIKey is NDIXXKUYFQDTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-7-8-15(19)17-11-13(2)18(14(3)12-17)10-9-16(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one?
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110290316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).