N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide

C16H24BrN3O — CID 107163619

IUPACN-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
SMILESCN1CCC(C)(CNCC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-16(6-8-20(2)9-7-16)12-18-11-15(21)19-14-5-3-4-13(17)10-14/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeyMYSRMLSTWXOJPR-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.71
Rot. Bonds5

About N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide

N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide (PubChem CID 107163619) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
PubChem CID107163619
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
SMILESCN1CCC(C)(CNCC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-16(6-8-20(2)9-7-16)12-18-11-15(21)19-14-5-3-4-13(17)10-14/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeyMYSRMLSTWXOJPR-UHFFFAOYSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163743
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid
CID 83559333
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
N-(3-bromophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820248
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide (CID 107163619) is N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide is CN1CCC(C)(CNCC(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The InChIKey is MYSRMLSTWXOJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-16(6-8-20(2)9-7-16)12-18-11-15(21)19-14-5-3-4-13(17)10-14/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide is sourced from PubChem (CID 107163619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).