2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C16H24ClN5O — CID 75382033

IUPAC2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C16H24ClN5O/c1-13(15(23)21-5-3-2-4-6-21)20-7-9-22(10-8-20)16-18-11-14(17)12-19-16/h11-13H,2-10H2,1H3
InChIKeyOHVRHSSDPLIQCE-UHFFFAOYSA-N
MW337.86 g/mol
LogP1.65
Rot. Bonds3

About 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 75382033) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID75382033
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C16H24ClN5O/c1-13(15(23)21-5-3-2-4-6-21)20-7-9-22(10-8-20)16-18-11-14(17)12-19-16/h11-13H,2-10H2,1H3
InChIKeyOHVRHSSDPLIQCE-UHFFFAOYSA-N
XLogP1.65
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US9624218, Example 18
CID 138374304
2-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71971823
2-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]propanamide
CID 71973150
N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide
CID 71975875
(2S)-2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopentylpropanamide
CID 97589744
3-[(5-Chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696404
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide
CID 136512352
1-(4-Cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 57442972
1-(4-Cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 57443029
1-(4-Butan-2-ylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 57443031
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylpropanamide
CID 132182936
(5-chloropyrimidin-2-yl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523979

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 75382033) is 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is OHVRHSSDPLIQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O/c1-13(15(23)21-5-3-2-4-6-21)20-7-9-22(10-8-20)16-18-11-14(17)12-19-16/h11-13H,2-10H2,1H3.
What are the key properties of 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 337.86 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 75382033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).