(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C12H21N3O2 — CID 113265200

IUPAC(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNCC1CCCN(C(=O)[C@H]2CCC(=O)N2)C1
InChIInChI=1S/C12H21N3O2/c1-13-7-9-3-2-6-15(8-9)12(17)10-4-5-11(16)14-10/h9-10,13H,2-8H2,1H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyTZHHIWWJBQBSRA-QVDQXJPCSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds3

About (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 113265200) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID113265200
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNCC1CCCN(C(=O)[C@H]2CCC(=O)N2)C1
InChIInChI=1S/C12H21N3O2/c1-13-7-9-3-2-6-15(8-9)12(17)10-4-5-11(16)14-10/h9-10,13H,2-8H2,1H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyTZHHIWWJBQBSRA-QVDQXJPCSA-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

5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 63248464
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)piperidin-2-one;hydrochloride
CID 119398245
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
1,4-dithian-2-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398531
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 113265200) is (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CNCC1CCCN(C(=O)[C@H]2CCC(=O)N2)C1.
What is the InChIKey of (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is TZHHIWWJBQBSRA-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-7-9-3-2-6-15(8-9)12(17)10-4-5-11(16)14-10/h9-10,13H,2-8H2,1H3,(H,14,16)/t9?,10-/m1/s1.
What are the key properties of (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[3-(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 (5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 113265200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).