1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one

C16H31N3O — CID 81464236

IUPAC1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CC(C)C(N(C)C)C1)C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-12(14-6-5-7-17-9-14)8-16(20)19-10-13(2)15(11-19)18(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyWSYRYAUZTRWKBD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.42
Rot. Bonds4

About 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one

1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 81464236) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID81464236
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CC(C)C(N(C)C)C1)C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-12(14-6-5-7-17-9-14)8-16(20)19-10-13(2)15(11-19)18(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyWSYRYAUZTRWKBD-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044719
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671933
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one (CID 81464236) is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one is CC(CC(=O)N1CC(C)C(N(C)C)C1)C1CCCNC1.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is WSYRYAUZTRWKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(14-6-5-7-17-9-14)8-16(20)19-10-13(2)15(11-19)18(3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 81464236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).