ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate

C12H24N2O2 — CID 140758794

IUPACethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
SMILESCCOC(=O)N([C@@H]1CCCNC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-5-16-11(15)14(12(2,3)4)10-7-6-8-13-9-10/h10,13H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyMXHCHKOIKBPCEW-SNVBAGLBSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds2

About ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate

ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate (PubChem CID 140758794) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
PubChem CID140758794
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
SMILESCCOC(=O)N([C@@H]1CCCNC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-5-16-11(15)14(12(2,3)4)10-7-6-8-13-9-10/h10,13H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyMXHCHKOIKBPCEW-SNVBAGLBSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-tert-butyl-N-piperidin-4-ylcarbamate
CID 167313798
(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175124712
methyl N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcarbamate
CID 60801559
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate
CID 84755502
3-methoxy-N,3-dimethyl-N-piperidin-3-ylbutanamide
CID 103019546
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175137543
oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 175154394
ethyl N-[(3R,6S)-6-(aminomethyl)oxan-3-yl]-N-tert-butylcarbamate
CID 170549425
2-methylpropyl N-ethyl-N-[(3R)-piperidin-3-yl]carbamate
CID 162725358

Frequently Asked Questions

What is the IUPAC name of ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate (CID 140758794) is ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate is CCOC(=O)N([C@@H]1CCCNC1)C(C)(C)C.
What is the InChIKey of ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate?
The InChIKey is MXHCHKOIKBPCEW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-11(15)14(12(2,3)4)10-7-6-8-13-9-10/h10,13H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate?
ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate is sourced from PubChem (CID 140758794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).