2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C18H28BrN5O — CID 171326803

IUPAC2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCC(N(C)c3ncc(Br)cn3)CC2)CC1
InChIInChI=1S/C18H28BrN5O/c1-14-3-9-24(10-4-14)17(25)13-23-7-5-16(6-8-23)22(2)18-20-11-15(19)12-21-18/h11-12,14,16H,3-10,13H2,1-2H3
InChIKeyXQAZDHQBOYJKBT-UHFFFAOYSA-N
MW410.36 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 171326803) has the molecular formula C18H28BrN5O and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID171326803
Molecular FormulaC18H28BrN5O
Molecular Weight410.36 g/mol
Exact Mass409.15
IUPAC Name2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCC(N(C)c3ncc(Br)cn3)CC2)CC1
InChIInChI=1S/C18H28BrN5O/c1-14-3-9-24(10-4-14)17(25)13-23-7-5-16(6-8-23)22(2)18-20-11-15(19)12-21-18/h11-12,14,16H,3-10,13H2,1-2H3
InChIKeyXQAZDHQBOYJKBT-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 171327367
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
N-methyl-N-[1-[2-(4-methylpiperidin-1-yl)acetyl]azepan-4-yl]-1-phenylmethanesulfonamide
CID 110248479
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 154829661
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197
5-bromo-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328196
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90494621
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 171326803) is 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCC(N(C)c3ncc(Br)cn3)CC2)CC1.
What is the InChIKey of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XQAZDHQBOYJKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN5O/c1-14-3-9-24(10-4-14)17(25)13-23-7-5-16(6-8-23)22(2)18-20-11-15(19)12-21-18/h11-12,14,16H,3-10,13H2,1-2H3.
What are the key properties of 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 410.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 171326803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).