N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide

C17H25BrN2O — CID 163349250

IUPACN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2O/c1-17(2,3)16(21)19-15-7-9-20(10-8-15)12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyOPWLBVKCQJMYMK-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.58
Rot. Bonds3

About N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 163349250) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID163349250
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2O/c1-17(2,3)16(21)19-15-7-9-20(10-8-15)12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyOPWLBVKCQJMYMK-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
CID 175650109
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
1-[(3-bromophenyl)methyl]-3-chloropyrrolidine
CID 63387822
1-(1-benzylpiperidin-4-yl)-3-[(3-bromophenyl)methyl]-2-methylguanidine
CID 110986550
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide
CID 42696609

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 163349250) is N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1.
What is the InChIKey of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is OPWLBVKCQJMYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-17(2,3)16(21)19-15-7-9-20(10-8-15)12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 353.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163349250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).