tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate

C24H30N2O4 — CID 118300921

IUPACtert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccco3)cc2)C2CC2)CC1
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)25-14-12-20(13-15-25)26(19-10-11-19)22(27)18-8-6-17(7-9-18)21-5-4-16-29-21/h4-9,16,19-20H,10-15H2,1-3H3
InChIKeyVPSXLRVUNJNVDJ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.95
Rot. Bonds4

About tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 118300921) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID118300921
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nametert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccco3)cc2)C2CC2)CC1
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)25-14-12-20(13-15-25)26(19-10-11-19)22(27)18-8-6-17(7-9-18)21-5-4-16-29-21/h4-9,16,19-20H,10-15H2,1-3H3
InChIKeyVPSXLRVUNJNVDJ-UHFFFAOYSA-N
XLogP4.95
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate
CID 118300930
tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
CID 168527057
tert-butyl 4-[cyclopropyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300916
tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 73388329
tert-butyl 4-[cyclopropyl-[4-[4-(methylsulfamoyl)phenyl]benzoyl]amino]piperidine-1-carboxylate
CID 118300931
tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
CID 168528418
tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate
CID 86686152
tert-butyl 3-[[4-(furan-2-yl)anilino]methyl]piperidine-1-carboxylate
CID 168526338
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[4-(furan-2-yl)phenyl]piperazine-1-carboxylate;1-[4-(furan-2-yl)phenyl]piperazine
CID 158094171
tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
CID 168526679
tert-butyl (3R)-3-[1-(furan-2-yl)ethyl-methylamino]pyrrolidine-1-carboxylate
CID 71633213
tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 59843243

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate (CID 118300921) is tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccco3)cc2)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is VPSXLRVUNJNVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)25-14-12-20(13-15-25)26(19-10-11-19)22(27)18-8-6-17(7-9-18)21-5-4-16-29-21/h4-9,16,19-20H,10-15H2,1-3H3.
What are the key properties of tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 118300921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).