4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide

C21H26F2N4O2 — CID 19357182

IUPAC4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCCc1cc(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C
InChIInChI=1S/C21H26F2N4O2/c1-4-5-15-10-19(20(29-3)24-14(15)2)25-21(28)27-8-6-26(7-9-27)18-12-16(22)11-17(23)13-18/h10-13H,4-9H2,1-3H3,(H,25,28)
InChIKeyRBSDNPSLDLLPMN-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.98
Rot. Bonds5

About 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide

4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 19357182) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID19357182
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC Name4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCCc1cc(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C
InChIInChI=1S/C21H26F2N4O2/c1-4-5-15-10-19(20(29-3)24-14(15)2)25-21(28)27-8-6-26(7-9-27)18-12-16(22)11-17(23)13-18/h10-13H,4-9H2,1-3H3,(H,25,28)
InChIKeyRBSDNPSLDLLPMN-UHFFFAOYSA-N
XLogP3.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-difluorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663055
N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
CID 19357175
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 18663089
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 67667638
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663143
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
4-(3,5-dimethylphenyl)-N-[5-(2-hydroxypropan-2-yl)-2-methoxy-6-methyl-3-pyridinyl]piperazine-1-carboxamide
CID 19357004
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
CID 18663078
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-prop-1-en-2-ylphenyl)piperazine-1-carboxamide
CID 19357014

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide (CID 19357182) is 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide is CCCc1cc(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C.
What is the InChIKey of 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is RBSDNPSLDLLPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-4-5-15-10-19(20(29-3)24-14(15)2)25-21(28)27-8-6-26(7-9-27)18-12-16(22)11-17(23)13-18/h10-13H,4-9H2,1-3H3,(H,25,28).
What are the key properties of 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide?
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 19357182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).