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

C17H26N2O2 — CID 96555678

IUPACbenzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C[C@@H]1CCCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(2)19(12-16-9-6-10-18-11-16)17(20)21-13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3/t16-/m1/s1
InChIKeyGOVJGIFNWBAZLF-MRXNPFEDSA-N
MW290.41 g/mol
LogP3.03
Rot. Bonds5

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

benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 96555678) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID96555678
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C[C@@H]1CCCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(2)19(12-16-9-6-10-18-11-16)17(20)21-13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3/t16-/m1/s1
InChIKeyGOVJGIFNWBAZLF-MRXNPFEDSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
4-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 139267795
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
benzyl N-[[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 77144118
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96554022
benzyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566579

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 96555678) is benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(C[C@@H]1CCCNC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is GOVJGIFNWBAZLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)19(12-16-9-6-10-18-11-16)17(20)21-13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3/t16-/m1/s1.
What are the key properties of benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 290.41 g/mol, XLogP of 3.03, 5 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]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 96555678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).