4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one

C20H28N2O3 — CID 56814296

IUPAC4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCc1ccc(OC2CCN(C(=O)C3CCN(C)C(=O)C3)CC2)cc1C
InChIInChI=1S/C20H28N2O3/c1-14-4-5-18(12-15(14)2)25-17-7-10-22(11-8-17)20(24)16-6-9-21(3)19(23)13-16/h4-5,12,16-17H,6-11,13H2,1-3H3
InChIKeyYPLYTYUALGJQKR-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.54
Rot. Bonds3

About 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one

4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one (PubChem CID 56814296) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
PubChem CID56814296
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCc1ccc(OC2CCN(C(=O)C3CCN(C)C(=O)C3)CC2)cc1C
InChIInChI=1S/C20H28N2O3/c1-14-4-5-18(12-15(14)2)25-17-7-10-22(11-8-17)20(24)16-6-9-21(3)19(23)13-16/h4-5,12,16-17H,6-11,13H2,1-3H3
InChIKeyYPLYTYUALGJQKR-UHFFFAOYSA-N
XLogP2.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
1-[2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 78891391
(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 95585392
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120926045
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
[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
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56814293
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one?
The IUPAC name of 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one (CID 56814296) is 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one is Cc1ccc(OC2CCN(C(=O)C3CCN(C)C(=O)C3)CC2)cc1C.
What is the InChIKey of 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one?
The InChIKey is YPLYTYUALGJQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-4-5-18(12-15(14)2)25-17-7-10-22(11-8-17)20(24)16-6-9-21(3)19(23)13-16/h4-5,12,16-17H,6-11,13H2,1-3H3.
What are the key properties of 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one?
4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 56814296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).