benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate

C16H24N2O2 — CID 66569385

IUPACbenzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-13(2)18(15-9-6-10-17-11-15)16(19)20-12-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3/t15-/m1/s1
InChIKeyGMWYGDTWTAFLLF-OAHLLOKOSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds4

About benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate

benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate (PubChem CID 66569385) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
PubChem CID66569385
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-13(2)18(15-9-6-10-17-11-15)16(19)20-12-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3/t15-/m1/s1
InChIKeyGMWYGDTWTAFLLF-OAHLLOKOSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
(2R)-3-oxo-3-phenylmethoxy-2-[phenylmethoxycarbonyl(pyrrolidin-3-yl)amino]propanoic acid
CID 68577473
benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate
CID 18677686
2-[(3S)-3-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66566908
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
piperidin-3-yl(propan-2-yl)carbamic acid
CID 68784521
benzyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566633
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate?
The IUPAC name of benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate (CID 66569385) is benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate.
What is the SMILES notation for benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate?
The canonical SMILES for benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate is CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCNC1.
What is the InChIKey of benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate?
The InChIKey is GMWYGDTWTAFLLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)18(15-9-6-10-17-11-15)16(19)20-12-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate?
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate has a molecular weight of 276.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 66569385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).