tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate

C16H26N2O3 — CID 129460914

IUPACtert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate
SMILESC[C@@H](c1ccco1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H26N2O3/c1-12(14-8-6-10-20-14)18-9-5-7-13(11-18)17-15(19)21-16(2,3)4/h6,8,10,12-13H,5,7,9,11H2,1-4H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyYYHXWDNDDQKVGA-QWHCGFSZSA-N
MW294.40 g/mol
LogP3.33
Rot. Bonds3

About tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate (PubChem CID 129460914) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate
PubChem CID129460914
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate
SMILESC[C@@H](c1ccco1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H26N2O3/c1-12(14-8-6-10-20-14)18-9-5-7-13(11-18)17-15(19)21-16(2,3)4/h6,8,10,12-13H,5,7,9,11H2,1-4H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyYYHXWDNDDQKVGA-QWHCGFSZSA-N
XLogP3.33
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 97175587
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 98232041
tert-butyl N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 99725150
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
(2S)-2-(furan-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 86309547
tert-butyl N-[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]carbamate
CID 97175514
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid
CID 124929955
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
tert-butyl N-[(3R)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]carbamate
CID 97175522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate (CID 129460914) is tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate is C[C@@H](c1ccco1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate?
The InChIKey is YYHXWDNDDQKVGA-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(14-8-6-10-20-14)18-9-5-7-13(11-18)17-15(19)21-16(2,3)4/h6,8,10,12-13H,5,7,9,11H2,1-4H3,(H,17,19)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 3.33, 3 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-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 129460914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).