tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate

C17H23ClN2O4 — CID 141039770

IUPACtert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2c(Cl)cccc2C(N)=O)CC1
InChIInChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-9-7-11(8-10-20)23-14-12(15(19)21)5-4-6-13(14)18/h4-6,11H,7-10H2,1-3H3,(H2,19,21)
InChIKeyJNDRUUVUWQQUMP-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate

tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate (PubChem CID 141039770) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate
PubChem CID141039770
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Nametert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2c(Cl)cccc2C(N)=O)CC1
InChIInChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-9-7-11(8-10-20)23-14-12(15(19)21)5-4-6-13(14)18/h4-6,11H,7-10H2,1-3H3,(H2,19,21)
InChIKeyJNDRUUVUWQQUMP-UHFFFAOYSA-N
XLogP3.22
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl 3-(2,3-dichlorophenoxy)pyrrolidine-1-carboxylate
CID 69451031
tert-butyl 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 31367642
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 3-(3-carbamoyl-4-chlorophenoxy)azetidine-1-carboxylate
CID 57423002
5-chloro-2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 59564264
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
CID 71623656
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
CID 130406230

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate (CID 141039770) is tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2c(Cl)cccc2C(N)=O)CC1.
What is the InChIKey of tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate?
The InChIKey is JNDRUUVUWQQUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-9-7-11(8-10-20)23-14-12(15(19)21)5-4-6-13(14)18/h4-6,11H,7-10H2,1-3H3,(H2,19,21).
What are the key properties of tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate?
tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate has a molecular weight of 354.83 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 141039770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).