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

C11H20N2O — CID 102819920

IUPAC3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
SMILESCC1CCCN(C[C@H]2CCCN2)C1=O
InChIInChI=1S/C11H20N2O/c1-9-4-3-7-13(11(9)14)8-10-5-2-6-12-10/h9-10,12H,2-8H2,1H3/t9?,10-/m1/s1
InChIKeyMYIBNEPNLDNJCE-QVDQXJPCSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds2

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

3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one (PubChem CID 102819920) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
PubChem CID102819920
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
SMILESCC1CCCN(C[C@H]2CCCN2)C1=O
InChIInChI=1S/C11H20N2O/c1-9-4-3-7-13(11(9)14)8-10-5-2-6-12-10/h9-10,12H,2-8H2,1H3/t9?,10-/m1/s1
InChIKeyMYIBNEPNLDNJCE-QVDQXJPCSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
1-methyl-3-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 62490301
1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
CID 105434202
4-(1-methylpiperidin-4-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979093
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979067
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
CID 63596858
3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 115102053
1-methyl-3-(pyrrolidin-2-ylmethyl)pyrrolidin-2-one
CID 142209775
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
4-(1-methylpyrrolidin-3-yl)-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116979152

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one?
The IUPAC name of 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one (CID 102819920) is 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one is CC1CCCN(C[C@H]2CCCN2)C1=O.
What is the InChIKey of 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one?
The InChIKey is MYIBNEPNLDNJCE-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-4-3-7-13(11(9)14)8-10-5-2-6-12-10/h9-10,12H,2-8H2,1H3/t9?,10-/m1/s1.
What are the key properties of 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one?
3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 102819920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).