2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

C13H25N3O2 — CID 55048950

IUPAC2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)CC1(O)CCNCC1
InChIInChI=1S/C13H25N3O2/c1-15(10-12(17)16-8-2-3-9-16)11-13(18)4-6-14-7-5-13/h14,18H,2-11H2,1H3
InChIKeyQFABZBITBMSQRQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.34
Rot. Bonds4

About 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 55048950) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID55048950
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)CC1(O)CCNCC1
InChIInChI=1S/C13H25N3O2/c1-15(10-12(17)16-8-2-3-9-16)11-13(18)4-6-14-7-5-13/h14,18H,2-11H2,1H3
InChIKeyQFABZBITBMSQRQ-UHFFFAOYSA-N
XLogP-0.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone 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-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 65213919
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 65480925
1-(2,6-dimethylmorpholin-4-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 115758447
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide
CID 154741836
1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pentan-2-one
CID 62044659
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 55048950) is 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)CC1(O)CCNCC1.
What is the InChIKey of 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is QFABZBITBMSQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15(10-12(17)16-8-2-3-9-16)11-13(18)4-6-14-7-5-13/h14,18H,2-11H2,1H3.
What are the key properties of 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 255.36 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55048950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).