4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one

C13H25N3O — CID 123974737

IUPAC4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one
SMILESCN1CCC(CN2CCC(N(C)C)C2)C(=O)C1
InChIInChI=1S/C13H25N3O/c1-14(2)12-5-7-16(9-12)8-11-4-6-15(3)10-13(11)17/h11-12H,4-10H2,1-3H3
InChIKeyBASNTBSZAIQLQN-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.14
Rot. Bonds3

About 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one

4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one (PubChem CID 123974737) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one.

Molecular Properties

Compound Name4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one
PubChem CID123974737
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one
SMILESCN1CCC(CN2CCC(N(C)C)C2)C(=O)C1
InChIInChI=1S/C13H25N3O/c1-14(2)12-5-7-16(9-12)8-11-4-6-15(3)10-13(11)17/h11-12H,4-10H2,1-3H3
InChIKeyBASNTBSZAIQLQN-UHFFFAOYSA-N
XLogP0.14
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one?
The IUPAC name of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one (CID 123974737) is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one.
What is the SMILES notation for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one?
The canonical SMILES for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one is CN1CCC(CN2CCC(N(C)C)C2)C(=O)C1.
What is the InChIKey of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one?
The InChIKey is BASNTBSZAIQLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14(2)12-5-7-16(9-12)8-11-4-6-15(3)10-13(11)17/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one?
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one has a molecular weight of 239.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylpiperidin-3-one is sourced from PubChem (CID 123974737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).