tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate

C14H22N2O3 — CID 163213111

IUPACtert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccoc2)C1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-7-4-5-11(9-16)15-12-6-8-18-10-12/h6,8,10-11,15H,4-5,7,9H2,1-3H3
InChIKeyYJOJWFBWHIDCTJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate

tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate (PubChem CID 163213111) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate
PubChem CID163213111
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccoc2)C1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-7-4-5-11(9-16)15-12-6-8-18-10-12/h6,8,10-11,15H,4-5,7,9H2,1-3H3
InChIKeyYJOJWFBWHIDCTJ-UHFFFAOYSA-N
XLogP3.09
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
1-(Furan-3-yl)-3-(methylamino)azepan-2-one
CID 20589723
1-(Furan-3-yl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 20589724
1-(Furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one
CID 20589725
1-(Furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20589726
1-(Furan-3-yl)-5-methyl-3-(methylamino)azepan-2-one
CID 20589727
1-(Furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20589728
1-(Furan-3-yl)-6-methyl-3-(methylamino)azepan-2-one
CID 20589729
1-(Furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 20589730
1-(Furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one
CID 20589731
4-(Furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589881
4-(Furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
CID 20589882

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate (CID 163213111) is tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Nc2ccoc2)C1.
What is the InChIKey of tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate?
The InChIKey is YJOJWFBWHIDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-7-4-5-11(9-16)15-12-6-8-18-10-12/h6,8,10-11,15H,4-5,7,9H2,1-3H3.
What are the key properties of tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate?
tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 163213111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).