(5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate

C20H22ClN3O5 — CID 135320806

IUPAC(5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate
SMILESCCOc1cc(OC2CCN(C(=O)Oc3cncc(C(N)=O)c3)CC2)ccc1Cl
InChIInChI=1S/C20H22ClN3O5/c1-2-27-18-10-15(3-4-17(18)21)28-14-5-7-24(8-6-14)20(26)29-16-9-13(19(22)25)11-23-12-16/h3-4,9-12,14H,2,5-8H2,1H3,(H2,22,25)
InChIKeyIWMNNRWAMKZNNT-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.27
Rot. Bonds6

About (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate

(5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate (PubChem CID 135320806) has the molecular formula C20H22ClN3O5 and a molecular weight of 419.87 g/mol. Its IUPAC name is (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name(5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate
PubChem CID135320806
Molecular FormulaC20H22ClN3O5
Molecular Weight419.87 g/mol
Exact Mass419.12
IUPAC Name(5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate
SMILESCCOc1cc(OC2CCN(C(=O)Oc3cncc(C(N)=O)c3)CC2)ccc1Cl
InChIInChI=1S/C20H22ClN3O5/c1-2-27-18-10-15(3-4-17(18)21)28-14-5-7-24(8-6-14)20(26)29-16-9-13(19(22)25)11-23-12-16/h3-4,9-12,14H,2,5-8H2,1H3,(H2,22,25)
InChIKeyIWMNNRWAMKZNNT-UHFFFAOYSA-N
XLogP3.27
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate with MolForge

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Related Compounds

(4-ethylphenyl) 4-(3-chloro-4-cyanophenoxy)piperidine-1-carboxylate
CID 162438921
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
tert-butyl 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxylate
CID 11212544
(4-methylphenyl) 4-(3-chloro-4-isocyanophenoxy)piperidine-1-carboxylate
CID 170513726
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
tert-butyl 4-(4-chloro-3-cyclopentyloxyphenoxy)piperidine-1-carboxylate;4-(4-chloro-3-cyclopentyloxyphenoxy)piperidine
CID 159437456
ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
CID 18980164
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 90941147
(5-carbamoyl-3-pyridinyl) 4-[[4-[(2R)-2-methylpyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
CID 135329803

Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate?
The IUPAC name of (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate (CID 135320806) is (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate?
The canonical SMILES for (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate is CCOc1cc(OC2CCN(C(=O)Oc3cncc(C(N)=O)c3)CC2)ccc1Cl.
What is the InChIKey of (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate?
The InChIKey is IWMNNRWAMKZNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5/c1-2-27-18-10-15(3-4-17(18)21)28-14-5-7-24(8-6-14)20(26)29-16-9-13(19(22)25)11-23-12-16/h3-4,9-12,14H,2,5-8H2,1H3,(H2,22,25).
What are the key properties of (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate?
(5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate has a molecular weight of 419.87 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-3-pyridinyl) 4-(4-chloro-3-ethoxyphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 135320806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).