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

C27H26N2O4 — CID 108549433

IUPAC[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H26N2O4/c1-19(30)33-25-9-5-8-23(18-25)27(32)29-16-14-24(15-17-29)28-26(31)22-12-10-21(11-13-22)20-6-3-2-4-7-20/h2-13,18,24H,14-17H2,1H3,(H,28,31)
InChIKeyVFOSISMTZMMXCU-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.31
Rot. Bonds5

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

[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate (PubChem CID 108549433) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
PubChem CID108549433
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H26N2O4/c1-19(30)33-25-9-5-8-23(18-25)27(32)29-16-14-24(15-17-29)28-26(31)22-12-10-21(11-13-22)20-6-3-2-4-7-20/h2-13,18,24H,14-17H2,1H3,(H,28,31)
InChIKeyVFOSISMTZMMXCU-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-[(4-propan-2-ylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108563357
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
[3-[4-[(2-iodobenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927398
[3-[4-(4-phenylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543481
[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
[3-[4-[[(E)-3-cyclopropylbut-2-enoyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927580
[3-[[1-[(E)-3-cyclopropylbut-2-enoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927579

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate (CID 108549433) is [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1.
What is the InChIKey of [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is VFOSISMTZMMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-19(30)33-25-9-5-8-23(18-25)27(32)29-16-14-24(15-17-29)28-26(31)22-12-10-21(11-13-22)20-6-3-2-4-7-20/h2-13,18,24H,14-17H2,1H3,(H,28,31).
What are the key properties of [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate?
[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 442.52 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 108549433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).