1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one

C16H31N3O — CID 83199895

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCN(C)CC1CCCN1C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-16(2,13-7-5-9-17-11-13)15(20)19-10-6-8-14(19)12-18(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyWZXGJJHTHZNWGM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 83199895) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID83199895
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCN(C)CC1CCCN1C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-16(2,13-7-5-9-17-11-13)15(20)19-10-6-8-14(19)12-18(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyWZXGJJHTHZNWGM-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83198699
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 62889814
1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione
CID 62890091
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 66428532

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one (CID 83199895) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one is CN(C)CC1CCCN1C(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is WZXGJJHTHZNWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,13-7-5-9-17-11-13)15(20)19-10-6-8-14(19)12-18(3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 83199895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).