4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C18H20ClN3O2 — CID 124574014

IUPAC4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H20ClN3O2/c1-13(14-2-4-16(19)5-3-14)21-8-10-22(11-9-21)18(24)15-6-7-20-17(23)12-15/h2-7,12-13H,8-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyKFTXHTQJUKCFFQ-CYBMUJFWSA-N
MW345.83 g/mol
LogP2.55
Rot. Bonds3

About 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one

4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 124574014) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID124574014
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H20ClN3O2/c1-13(14-2-4-16(19)5-3-14)21-8-10-22(11-9-21)18(24)15-6-7-20-17(23)12-15/h2-7,12-13H,8-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyKFTXHTQJUKCFFQ-CYBMUJFWSA-N
XLogP2.55
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 124574014) is 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is KFTXHTQJUKCFFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(14-2-4-16(19)5-3-14)21-8-10-22(11-9-21)18(24)15-6-7-20-17(23)12-15/h2-7,12-13H,8-11H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 345.83 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124574014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).