[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate

C23H26N2O6 — CID 108548503

IUPAC[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C23H26N2O6/c1-15(26)31-18-7-4-6-16(14-18)22(27)24-17-10-12-25(13-11-17)23(28)21-19(29-2)8-5-9-20(21)30-3/h4-9,14,17H,10-13H2,1-3H3,(H,24,27)
InChIKeyILDUQFAVQONOBC-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.66
Rot. Bonds6

About [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate

[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate (PubChem CID 108548503) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
PubChem CID108548503
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C23H26N2O6/c1-15(26)31-18-7-4-6-16(14-18)22(27)24-17-10-12-25(13-11-17)23(28)21-19(29-2)8-5-9-20(21)30-3/h4-9,14,17H,10-13H2,1-3H3,(H,24,27)
InChIKeyILDUQFAVQONOBC-UHFFFAOYSA-N
XLogP2.66
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
[3-[[1-[(E)-3-cyclopropylbut-2-enoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927579
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647
[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108549433
[3-[[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548568
[3-[4-[(4-propan-2-ylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108563357
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550
[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548529
prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate
CID 108559049
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate (CID 108548503) is [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate is COc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1.
What is the InChIKey of [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate?
The InChIKey is ILDUQFAVQONOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-15(26)31-18-7-4-6-16(14-18)22(27)24-17-10-12-25(13-11-17)23(28)21-19(29-2)8-5-9-20(21)30-3/h4-9,14,17H,10-13H2,1-3H3,(H,24,27).
What are the key properties of [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate?
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate has a molecular weight of 426.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108548503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).