tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C26H31N3O4 — CID 71736416

IUPACtert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCCNC(=O)c1ccc(-c2cc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)oc3cn2)cc1
InChIInChI=1S/C26H31N3O4/c1-5-27-24(30)19-8-6-17(7-9-19)21-14-20-15-22(32-23(20)16-28-21)18-10-12-29(13-11-18)25(31)33-26(2,3)4/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,27,30)
InChIKeyWHGLBECOICTDAO-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.36
Rot. Bonds4

About tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736416) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736416
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Nametert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCCNC(=O)c1ccc(-c2cc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)oc3cn2)cc1
InChIInChI=1S/C26H31N3O4/c1-5-27-24(30)19-8-6-17(7-9-19)21-14-20-15-22(32-23(20)16-28-21)18-10-12-29(13-11-18)25(31)33-26(2,3)4/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,27,30)
InChIKeyWHGLBECOICTDAO-UHFFFAOYSA-N
XLogP5.36
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pha-543613
CID 9930121
Furan-2-carboxamide deriv., 25
CID 44236908
2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589
Phenylpropanoic acid derivative, 55
CID 10296059
example 184 [WO2014186035]
CID 86280679
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816611
N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 1114156
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 10468418
Methyl 6-(2-(3-(4-phenoxyphenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800000
Methyl 6-(2-(3-(4-(phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800519

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736416) is tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CCNC(=O)c1ccc(-c2cc3cc(C4CCN(C(=O)OC(C)(C)C)CC4)oc3cn2)cc1.
What is the InChIKey of tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is WHGLBECOICTDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-5-27-24(30)19-8-6-17(7-9-19)21-14-20-15-22(32-23(20)16-28-21)18-10-12-29(13-11-18)25(31)33-26(2,3)4/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,27,30).
What are the key properties of tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 449.55 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[4-(ethylcarbamoyl)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).