(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one

C18H24N2O3 — CID 129368292

IUPAC(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1C
InChIInChI=1S/C18H24N2O3/c1-12-3-4-15(11-13(12)2)23-14-7-9-20(10-8-14)18(22)16-5-6-17(21)19-16/h3-4,11,14,16H,5-10H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWXKRCNGIWQJUDA-INIZCTEOSA-N
MW316.40 g/mol
LogP1.95
Rot. Bonds3

About (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 129368292) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID129368292
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1C
InChIInChI=1S/C18H24N2O3/c1-12-3-4-15(11-13(12)2)23-14-7-9-20(10-8-14)18(22)16-5-6-17(21)19-16/h3-4,11,14,16H,5-10H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWXKRCNGIWQJUDA-INIZCTEOSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
CID 56814296
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 84593768
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120926045
5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 121161754
1-[2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 78891391
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56817214
(2S)-1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-ethoxypropan-1-one
CID 124507229
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56814293
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]piperazin-2-one
CID 70743927

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one (CID 129368292) is (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1C.
What is the InChIKey of (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WXKRCNGIWQJUDA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-3-4-15(11-13(12)2)23-14-7-9-20(10-8-14)18(22)16-5-6-17(21)19-16/h3-4,11,14,16H,5-10H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 129368292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).