2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide

C11H15BrN4O — CID 133355987

IUPAC2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C11H15BrN4O/c12-9-5-14-11(15-6-9)16-3-1-2-8(7-16)4-10(13)17/h5-6,8H,1-4,7H2,(H2,13,17)
InChIKeyOKZDQIDBEYUENN-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.33
Rot. Bonds3

About 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide

2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide (PubChem CID 133355987) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
PubChem CID133355987
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C11H15BrN4O/c12-9-5-14-11(15-6-9)16-3-1-2-8(7-16)4-10(13)17/h5-6,8H,1-4,7H2,(H2,13,17)
InChIKeyOKZDQIDBEYUENN-UHFFFAOYSA-N
XLogP1.33
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133356012
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide
CID 72927654
N-[[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 136542424
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975360
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide
CID 97079700
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide (CID 133355987) is 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide is NC(=O)CC1CCCN(c2ncc(Br)cn2)C1.
What is the InChIKey of 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is OKZDQIDBEYUENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c12-9-5-14-11(15-6-9)16-3-1-2-8(7-16)4-10(13)17/h5-6,8H,1-4,7H2,(H2,13,17).
What are the key properties of 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide?
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 299.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).