tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate

C23H28N2O3 — CID 122598194

IUPACtert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)25-14-8-13-20(16-25)24-21(26)19-12-7-11-18(15-19)17-9-5-4-6-10-17/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H,24,26)
InChIKeyYVLDXVUUWNMXSK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.48
Rot. Bonds3

About tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate

tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 122598194) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID122598194
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)25-14-8-13-20(16-25)24-21(26)19-12-7-11-18(15-19)17-9-5-4-6-10-17/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H,24,26)
InChIKeyYVLDXVUUWNMXSK-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 168974665
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)piperidine-1-carboxylate
CID 71630800
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
tert-butyl 3-[(3-aminobenzoyl)amino]azetidine-1-carboxylate
CID 89028394
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl 3-[[3-amino-6-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 68650338
tert-butyl 3-[[4-(2-oxo-1H-pyridin-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 69132512
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564
tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 122590937

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate (CID 122598194) is tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is YVLDXVUUWNMXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)25-14-8-13-20(16-25)24-21(26)19-12-7-11-18(15-19)17-9-5-4-6-10-17/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 122598194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).