5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one

C14H14ClN5O2 — CID 86783720

IUPAC5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H14ClN5O2/c15-11-8-17-14(18-9-11)20-5-3-19(4-6-20)13(22)10-1-2-12(21)16-7-10/h1-2,7-9H,3-6H2,(H,16,21)
InChIKeyLWRVYTPCKLFMBJ-UHFFFAOYSA-N
MW319.75 g/mol
LogP0.78
Rot. Bonds2

About 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 86783720) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID86783720
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H14ClN5O2/c15-11-8-17-14(18-9-11)20-5-3-19(4-6-20)13(22)10-1-2-12(21)16-7-10/h1-2,7-9H,3-6H2,(H,16,21)
InChIKeyLWRVYTPCKLFMBJ-UHFFFAOYSA-N
XLogP0.78
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 56820279
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 175979853
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
ethyl 6-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 47025638
2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317762
5-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 75416869
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735948
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
5-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121058483
5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 110610852

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 86783720) is 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LWRVYTPCKLFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c15-11-8-17-14(18-9-11)20-5-3-19(4-6-20)13(22)10-1-2-12(21)16-7-10/h1-2,7-9H,3-6H2,(H,16,21).
What are the key properties of 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 319.75 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 86783720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).