2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate

C23H28N2O3 — CID 108559390

IUPAC2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17(2)16-28-23(27)25-14-12-21(13-15-25)24-22(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,24,26)
InChIKeyQZTXADWLHGLASR-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.34
Rot. Bonds5

About 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate

2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559390) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559390
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17(2)16-28-23(27)25-14-12-21(13-15-25)24-22(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,24,26)
InChIKeyQZTXADWLHGLASR-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
CID 108562819
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567740
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate (CID 108559390) is 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is QZTXADWLHGLASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(2)16-28-23(27)25-14-12-21(13-15-25)24-22(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,24,26).
What are the key properties of 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate?
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).