N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide

C14H25BrN2O — CID 95625001

IUPACN-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESC=C(Br)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H25BrN2O/c1-11(15)9-17-7-5-6-12(10-17)8-16-13(18)14(2,3)4/h12H,1,5-10H2,2-4H3,(H,16,18)/t12-/m1/s1
InChIKeyKQUBJYSXLHXDEN-GFCCVEGCSA-N
MW317.27 g/mol
LogP2.77
Rot. Bonds4

About N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide

N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 95625001) has the molecular formula C14H25BrN2O and a molecular weight of 317.27 g/mol. Its IUPAC name is N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID95625001
Molecular FormulaC14H25BrN2O
Molecular Weight317.27 g/mol
Exact Mass316.12
IUPAC NameN-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESC=C(Br)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H25BrN2O/c1-11(15)9-17-7-5-6-12(10-17)8-16-13(18)14(2,3)4/h12H,1,5-10H2,2-4H3,(H,16,18)/t12-/m1/s1
InChIKeyKQUBJYSXLHXDEN-GFCCVEGCSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide (CID 95625001) is N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide is C=C(Br)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is KQUBJYSXLHXDEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25BrN2O/c1-11(15)9-17-7-5-6-12(10-17)8-16-13(18)14(2,3)4/h12H,1,5-10H2,2-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 317.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95625001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).