methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid

C11H22N2O2 — CID 175085414

IUPACmethyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid
SMILESCN(C(=O)O)C(C)(C)C[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,13(3)10(14)15)7-9-5-4-6-12-8-9/h9,12H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyNYEPFFFNCICYQT-SECBINFHSA-N
MW214.31 g/mol
LogP1.76
Rot. Bonds3

About methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid

methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid (PubChem CID 175085414) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid
PubChem CID175085414
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid
SMILESCN(C(=O)O)C(C)(C)C[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,13(3)10(14)15)7-9-5-4-6-12-8-9/h9,12H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyNYEPFFFNCICYQT-SECBINFHSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)piperidine
CID 21041533
2,2-dimethyl-3-piperidin-3-ylpropanamide
CID 119057117
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-piperidin-3-ylacetamide
CID 79380167
2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 80553591
2-methoxy-N,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106627739
N-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
N-(2-methylbutan-2-yl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636496
2-piperidin-3-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62688845
2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid
CID 65265781
N-oxo-2-piperidin-3-ylacetamide
CID 163768787
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866
2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide
CID 114038062

Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid?
The IUPAC name of methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid (CID 175085414) is methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid?
The canonical SMILES for methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid is CN(C(=O)O)C(C)(C)C[C@H]1CCCNC1.
What is the InChIKey of methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid?
The InChIKey is NYEPFFFNCICYQT-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,13(3)10(14)15)7-9-5-4-6-12-8-9/h9,12H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid?
methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid has a molecular weight of 214.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-1-[(3R)-piperidin-3-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 175085414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).