[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate

C17H20Cl2N2O5 — CID 178146528

IUPAC[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)O[C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H20Cl2N2O5/c18-10-7-13(15(22)14(19)8-10)16(23)20-11-1-4-21(5-2-11)17(24)26-12-3-6-25-9-12/h7-8,11-12,22H,1-6,9H2,(H,20,23)/t12-/m1/s1
InChIKeyQYHFKRBXSNCMOX-GFCCVEGCSA-N
MW403.26 g/mol
LogP2.82
Rot. Bonds3

About [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate

[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 178146528) has the molecular formula C17H20Cl2N2O5 and a molecular weight of 403.26 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID178146528
Molecular FormulaC17H20Cl2N2O5
Molecular Weight403.26 g/mol
Exact Mass402.07
IUPAC Name[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)O[C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H20Cl2N2O5/c18-10-7-13(15(22)14(19)8-10)16(23)20-11-1-4-21(5-2-11)17(24)26-12-3-6-25-9-12/h7-8,11-12,22H,1-6,9H2,(H,20,23)/t12-/m1/s1
InChIKeyQYHFKRBXSNCMOX-GFCCVEGCSA-N
XLogP2.82
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146348
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 154786047
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
CID 178146238
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
CID 178146426
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146375

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate (CID 178146528) is [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate is O=C(NC1CCN(C(=O)O[C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is QYHFKRBXSNCMOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20Cl2N2O5/c18-10-7-13(15(22)14(19)8-10)16(23)20-11-1-4-21(5-2-11)17(24)26-12-3-6-25-9-12/h7-8,11-12,22H,1-6,9H2,(H,20,23)/t12-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 403.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 178146528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).