N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide

C15H21BrN2O — CID 69106865

IUPACN-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-12(19)17-15(2)7-9-18(10-8-15)11-13-3-5-14(16)6-4-13/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyYHCKKYFZYVWWHW-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.94
Rot. Bonds3

About N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide

N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 69106865) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID69106865
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-12(19)17-15(2)7-9-18(10-8-15)11-13-3-5-14(16)6-4-13/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyYHCKKYFZYVWWHW-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 134807420
1-[(4-bromophenyl)methyl]-4-methylpiperidine-3,4-diol
CID 69106342
N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008
N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 134809052
N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
CID 71111619
methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate
CID 123447312
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
methyl (3S)-1-[(4-acetamidophenyl)methyl]-3-methylpyrrolidine-3-carboxylate
CID 97160325

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide (CID 69106865) is N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is YHCKKYFZYVWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12(19)17-15(2)7-9-18(10-8-15)11-13-3-5-14(16)6-4-13/h3-6H,7-11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 325.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 69106865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).