benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate

C23H30N2O2 — CID 118413200

IUPACbenzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate
SMILESCC(C)(C)N1C[C@H](NC(=O)OCc2ccccc2)C[C@H](c2ccccc2)C1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)25-15-20(19-12-8-5-9-13-19)14-21(16-25)24-22(26)27-17-18-10-6-4-7-11-18/h4-13,20-21H,14-17H2,1-3H3,(H,24,26)/t20-,21+/m0/s1
InChIKeyJSKPKROXZAXUPF-LEWJYISDSA-N
MW366.51 g/mol
LogP4.57
Rot. Bonds4

About benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate

benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate (PubChem CID 118413200) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate
PubChem CID118413200
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Namebenzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate
SMILESCC(C)(C)N1C[C@H](NC(=O)OCc2ccccc2)C[C@H](c2ccccc2)C1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)25-15-20(19-12-8-5-9-13-19)14-21(16-25)24-22(26)27-17-18-10-6-4-7-11-18/h4-13,20-21H,14-17H2,1-3H3,(H,24,26)/t20-,21+/m0/s1
InChIKeyJSKPKROXZAXUPF-LEWJYISDSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
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1-O-tert-butyl 3-O-methyl (3S,5R)-5-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 70274467
benzyl N-(3-iodocyclobutyl)carbamate
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benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
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benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
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[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] 3-(phenylmethoxycarbonylamino)azetidine-1-carboxylate
CID 170765411
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
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methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate (CID 118413200) is benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate is CC(C)(C)N1C[C@H](NC(=O)OCc2ccccc2)C[C@H](c2ccccc2)C1.
What is the InChIKey of benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate?
The InChIKey is JSKPKROXZAXUPF-LEWJYISDSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)25-15-20(19-12-8-5-9-13-19)14-21(16-25)24-22(26)27-17-18-10-6-4-7-11-18/h4-13,20-21H,14-17H2,1-3H3,(H,24,26)/t20-,21+/m0/s1.
What are the key properties of benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate?
benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate has a molecular weight of 366.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate is sourced from PubChem (CID 118413200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).