[4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate

C19H29N3O3 — CID 50965977

IUPAC[4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate
SMILESCCNC(=O)N1CCC(NCc2cc(C)c(OC(C)=O)c(C)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-5-20-19(24)22-8-6-17(7-9-22)21-12-16-10-13(2)18(14(3)11-16)25-15(4)23/h10-11,17,21H,5-9,12H2,1-4H3,(H,20,24)
InChIKeyFXQUQDOPXCMYDN-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.51
Rot. Bonds5

About [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate

[4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate (PubChem CID 50965977) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate.

Molecular Properties

Compound Name[4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate
PubChem CID50965977
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate
SMILESCCNC(=O)N1CCC(NCc2cc(C)c(OC(C)=O)c(C)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-5-20-19(24)22-8-6-17(7-9-22)21-12-16-10-13(2)18(14(3)11-16)25-15(4)23/h10-11,17,21H,5-9,12H2,1-4H3,(H,20,24)
InChIKeyFXQUQDOPXCMYDN-UHFFFAOYSA-N
XLogP2.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
CID 115903388
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide
CID 115903706
3-[[4-(difluoromethylsulfanyl)phenyl]methylamino]-N-ethylpyrrolidine-1-carboxamide
CID 75519218
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 107743568
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
CID 140622429
CID 140622429

Frequently Asked Questions

What is the IUPAC name of [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate?
The IUPAC name of [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate (CID 50965977) is [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate.
What is the SMILES notation for [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate?
The canonical SMILES for [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate is CCNC(=O)N1CCC(NCc2cc(C)c(OC(C)=O)c(C)c2)CC1.
What is the InChIKey of [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate?
The InChIKey is FXQUQDOPXCMYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-20-19(24)22-8-6-17(7-9-22)21-12-16-10-13(2)18(14(3)11-16)25-15(4)23/h10-11,17,21H,5-9,12H2,1-4H3,(H,20,24).
What are the key properties of [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate?
[4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate has a molecular weight of 347.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[1-(ethylcarbamoyl)piperidin-4-yl]amino]methyl]-2,6-dimethylphenyl] acetate is sourced from PubChem (CID 50965977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).