tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate

C17H23ClN2O4 — CID 127548323

IUPACtert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-10-8-13(9-11-20)19-15(21)23-14-6-4-12(18)5-7-14/h4-7,13H,8-11H2,1-3H3,(H,19,21)
InChIKeyJKDHGZSRLOGWQK-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.83
Rot. Bonds2

About tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate (PubChem CID 127548323) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
PubChem CID127548323
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Nametert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-10-8-13(9-11-20)19-15(21)23-14-6-4-12(18)5-7-14/h4-7,13H,8-11H2,1-3H3,(H,19,21)
InChIKeyJKDHGZSRLOGWQK-UHFFFAOYSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate
CID 75365665
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
tert-butyl N-[1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidin-4-yl]carbamate
CID 143312029
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222
tert-butyl N-[1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]carbamate
CID 86992667
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate (CID 127548323) is tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate?
The InChIKey is JKDHGZSRLOGWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-10-8-13(9-11-20)19-15(21)23-14-6-4-12(18)5-7-14/h4-7,13H,8-11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate has a molecular weight of 354.83 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 127548323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).