[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate

C22H24N2O4 — CID 108555308

IUPAC[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-15-5-3-6-17(13-15)21(26)23-19-9-11-24(12-10-19)22(27)18-7-4-8-20(14-18)28-16(2)25/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26)
InChIKeyATWBQSGPQLICQI-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.95
Rot. Bonds4

About [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate

[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate (PubChem CID 108555308) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
PubChem CID108555308
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-15-5-3-6-17(13-15)21(26)23-19-9-11-24(12-10-19)22(27)18-7-4-8-20(14-18)28-16(2)25/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26)
InChIKeyATWBQSGPQLICQI-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108549433
[3-[4-[(4-propan-2-ylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108563357
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552
[3-[4-[(2-iodobenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927398
[3-[[1-[(E)-3-cyclopropylbut-2-enoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927579
[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543535
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
[3-[[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548568
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
[3-[4-[[(E)-3-cyclopropylbut-2-enoyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927580

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate (CID 108555308) is [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1.
What is the InChIKey of [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is ATWBQSGPQLICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-5-3-6-17(13-15)21(26)23-19-9-11-24(12-10-19)22(27)18-7-4-8-20(14-18)28-16(2)25/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26).
What are the key properties of [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 380.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 108555308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).