(3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate

C22H20Cl2N4O5 — CID 167528010

IUPAC(3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(-c2n[nH]c(=O)o2)cc1)C1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H20Cl2N4O5/c23-16-9-13(10-17(24)11-16)12-32-22(31)28-7-5-14(6-8-28)19(29)25-18-3-1-15(2-4-18)20-26-27-21(30)33-20/h1-4,9-11,14H,5-8,12H2,(H,25,29)(H,27,30)
InChIKeyLXNJZWCYZYQJIF-UHFFFAOYSA-N
MW491.33 g/mol
LogP4.32
Rot. Bonds5

About (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate

(3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 167528010) has the molecular formula C22H20Cl2N4O5 and a molecular weight of 491.33 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID167528010
Molecular FormulaC22H20Cl2N4O5
Molecular Weight491.33 g/mol
Exact Mass490.08
IUPAC Name(3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(-c2n[nH]c(=O)o2)cc1)C1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H20Cl2N4O5/c23-16-9-13(10-17(24)11-16)12-32-22(31)28-7-5-14(6-8-28)19(29)25-18-3-1-15(2-4-18)20-26-27-21(30)33-20/h1-4,9-11,14H,5-8,12H2,(H,25,29)(H,27,30)
InChIKeyLXNJZWCYZYQJIF-UHFFFAOYSA-N
XLogP4.32
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.33
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
(3,5-dichlorophenyl)methyl 4-[4-(3-methylimidazol-4-yl)anilino]piperidine-1-carboxylate
CID 167527968
(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride
CID 86722638
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
(3,5-dichlorophenyl)methyl 4-[4-(2-amino-1,3-thiazol-5-yl)anilino]piperidine-1-carboxylate
CID 167527944
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 42880782
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
(3,5-dichlorophenyl)methyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
CID 155931753
(3,5-dichlorophenyl)methyl 4-[2-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,4-dihydropyrazol-2-yl]ethyl]piperazine-1-carboxylate
CID 46926913

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 167528010) is (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate is O=C(Nc1ccc(-c2n[nH]c(=O)o2)cc1)C1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is LXNJZWCYZYQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O5/c23-16-9-13(10-17(24)11-16)12-32-22(31)28-7-5-14(6-8-28)19(29)25-18-3-1-15(2-4-18)20-26-27-21(30)33-20/h1-4,9-11,14H,5-8,12H2,(H,25,29)(H,27,30).
What are the key properties of (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
(3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 491.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl 4-[[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 167528010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).