5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C12H21N3O2 — CID 63248464

IUPAC5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNCC1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-8-9-4-6-15(7-5-9)12(17)10-2-3-11(16)14-10/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyJVDLODNVJPGHNM-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds3

About 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one

5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 63248464) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID63248464
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNCC1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-8-9-4-6-15(7-5-9)12(17)10-2-3-11(16)14-10/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyJVDLODNVJPGHNM-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 113265200
5-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-one
CID 43556218
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
(5R)-5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 103821077
5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 90586478
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110799961
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95174347
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 63248464) is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CNCC1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JVDLODNVJPGHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-8-9-4-6-15(7-5-9)12(17)10-2-3-11(16)14-10/h9-10,13H,2-8H2,1H3,(H,14,16).
What are the key properties of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 63248464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).