tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate

C22H32N2O3 — CID 67422951

IUPACtert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C22H32N2O3/c1-21(2,3)27-20(26)24-16-12-22(13-17-24,18-10-6-4-7-11-18)19(25)23-14-8-5-9-15-23/h4,6-7,10-11H,5,8-9,12-17H2,1-3H3
InChIKeyIOZBQAOCOBSQGK-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 67422951) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID67422951
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nametert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C22H32N2O3/c1-21(2,3)27-20(26)24-16-12-22(13-17-24,18-10-6-4-7-11-18)19(25)23-14-8-5-9-15-23/h4,6-7,10-11H,5,8-9,12-17H2,1-3H3
InChIKeyIOZBQAOCOBSQGK-UHFFFAOYSA-N
XLogP3.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl 4-(morpholine-4-carbonyl)-4-phenylpiperidine-1-carboxylate
CID 67341747
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 4892293
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906
1-azabicyclo[2.2.2]octane;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 145196353
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanedioic acid
CID 4891661
(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanedioic acid
CID 7665210
(2R,3R)-3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanoic acid
CID 7647391
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
tert-butyl 1-(4-phenyl-1-prop-2-enoylpiperidine-4-carbonyl)azetidine-3-carboxylate
CID 154802583
(2R)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoic acid
CID 7679862

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate (CID 67422951) is tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is IOZBQAOCOBSQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-21(2,3)27-20(26)24-16-12-22(13-17-24,18-10-6-4-7-11-18)19(25)23-14-8-5-9-15-23/h4,6-7,10-11H,5,8-9,12-17H2,1-3H3.
What are the key properties of tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 372.51 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 67422951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).