tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate

C17H26N2O4 — CID 99832684

IUPACtert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate
SMILESCc1cc(C)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C17H26N2O4/c1-11-9-12(2)22-14(11)15(20)19-8-6-7-13(10-19)18-16(21)23-17(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,18,21)/t13-/m1/s1
InChIKeyMGLNCZVYIWPWNL-CYBMUJFWSA-N
MW322.41 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate (PubChem CID 99832684) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate
PubChem CID99832684
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate
SMILESCc1cc(C)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C17H26N2O4/c1-11-9-12(2)22-14(11)15(20)19-8-6-7-13(10-19)18-16(21)23-17(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,18,21)/t13-/m1/s1
InChIKeyMGLNCZVYIWPWNL-CYBMUJFWSA-N
XLogP3.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
tert-butyl N-[(3R)-1-(2-ethynyl-3-methylbenzoyl)piperidin-3-yl]carbamate
CID 169452069
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
tert-butyl N-[(3S)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646626
tert-butyl N-[(3R)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646625
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl N-[1-(3-ethynylbenzoyl)piperidin-3-yl]carbamate
CID 170459132
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate
CID 95178815
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate (CID 99832684) is tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate is Cc1cc(C)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is MGLNCZVYIWPWNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11-9-12(2)22-14(11)15(20)19-8-6-7-13(10-19)18-16(21)23-17(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,18,21)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 99832684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).