1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone

C13H18ClN3O — CID 66509847

IUPAC1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCc1cc(Cl)ncn1
InChIInChI=1S/C13H18ClN3O/c1-10(18)17-7-3-2-4-12(17)6-5-11-8-13(14)16-9-15-11/h8-9,12H,2-7H2,1H3
InChIKeyQJQJDYOOSYSREX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.46
Rot. Bonds3

About 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone

1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone (PubChem CID 66509847) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
PubChem CID66509847
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCc1cc(Cl)ncn1
InChIInChI=1S/C13H18ClN3O/c1-10(18)17-7-3-2-4-12(17)6-5-11-8-13(14)16-9-15-11/h8-9,12H,2-7H2,1H3
InChIKeyQJQJDYOOSYSREX-UHFFFAOYSA-N
XLogP2.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 110257310
1-[(2R)-2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 95825007
1-[2-[2-(5-bromopyrazin-2-yl)ethyl]piperidin-1-yl]ethanone
CID 66509821
1-[(2R)-2-[2-(6-chloro-3-pyridinyl)ethyl]pyrrolidin-1-yl]ethanone
CID 95804801
1-[3-[(6-chloropyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 167995722
tert-butyl (2S)-2-[(6-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97173580
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone (CID 66509847) is 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CCc1cc(Cl)ncn1.
What is the InChIKey of 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is QJQJDYOOSYSREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(18)17-7-3-2-4-12(17)6-5-11-8-13(14)16-9-15-11/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone?
1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(6-chloropyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66509847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).