(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one

C12H22N2O — CID 100665400

IUPAC(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CCN(C[C@@H]2CCC(=O)N2C)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-7-14(8-6-10)9-11-3-4-12(15)13(11)2/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyIOVFTOCJZFIPLU-NSHDSACASA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds2

About (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one

(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 100665400) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID100665400
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CCN(C[C@@H]2CCC(=O)N2C)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-7-14(8-6-10)9-11-3-4-12(15)13(11)2/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyIOVFTOCJZFIPLU-NSHDSACASA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
CID 130735003
(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038
(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one
CID 163585594
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
2-[[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864870
1-(9-bromononyl)-5-methylazepan-2-one
CID 105343144
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 63624486
1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
CID 126887688
(5S)-5-[(4-methylpiperazin-1-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one
CID 67792719
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one
CID 19987175
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one (CID 100665400) is (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one is CC1CCN(C[C@@H]2CCC(=O)N2C)CC1.
What is the InChIKey of (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is IOVFTOCJZFIPLU-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-5-7-14(8-6-10)9-11-3-4-12(15)13(11)2/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one?
(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 100665400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).