1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one

C23H26F2N4O2 — CID 71252543

IUPAC1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3c(F)cc(N4CCCCC4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C23H26F2N4O2/c1-15-11-16(2)22(26-14-15)27-7-9-28(10-8-27)23(31)21-18(24)12-17(13-19(21)25)29-6-4-3-5-20(29)30/h11-14H,3-10H2,1-2H3
InChIKeyAZQGSMPIPLINKO-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.46
Rot. Bonds3

About 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one (PubChem CID 71252543) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one
PubChem CID71252543
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3c(F)cc(N4CCCCC4=O)cc3F)CC2)c(C)c1
InChIInChI=1S/C23H26F2N4O2/c1-15-11-16(2)22(26-14-15)27-7-9-28(10-8-27)23(31)21-18(24)12-17(13-19(21)25)29-6-4-3-5-20(29)30/h11-14H,3-10H2,1-2H3
InChIKeyAZQGSMPIPLINKO-UHFFFAOYSA-N
XLogP3.46
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one?
The IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one (CID 71252543) is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one is Cc1cnc(N2CCN(C(=O)c3c(F)cc(N4CCCCC4=O)cc3F)CC2)c(C)c1.
What is the InChIKey of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one?
The InChIKey is AZQGSMPIPLINKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-15-11-16(2)22(26-14-15)27-7-9-28(10-8-27)23(31)21-18(24)12-17(13-19(21)25)29-6-4-3-5-20(29)30/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one?
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one has a molecular weight of 428.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one is sourced from PubChem (CID 71252543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).