N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide

C24H35FN4O2 — CID 126466825

IUPACN-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide
SMILESCCn1cc(CN2CCC(C(Cc3ccc(F)cc3)N(C)C(=O)COC)CC2)c(C)n1
InChIInChI=1S/C24H35FN4O2/c1-5-29-16-21(18(2)26-29)15-28-12-10-20(11-13-28)23(27(3)24(30)17-31-4)14-19-6-8-22(25)9-7-19/h6-9,16,20,23H,5,10-15,17H2,1-4H3
InChIKeyVZHPQPKKISCKOD-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.28
Rot. Bonds9

About N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide

N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide (PubChem CID 126466825) has the molecular formula C24H35FN4O2 and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide
PubChem CID126466825
Molecular FormulaC24H35FN4O2
Molecular Weight430.57 g/mol
Exact Mass430.27
IUPAC NameN-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide
SMILESCCn1cc(CN2CCC(C(Cc3ccc(F)cc3)N(C)C(=O)COC)CC2)c(C)n1
InChIInChI=1S/C24H35FN4O2/c1-5-29-16-21(18(2)26-29)15-28-12-10-20(11-13-28)23(27(3)24(30)17-31-4)14-19-6-8-22(25)9-7-19/h6-9,16,20,23H,5,10-15,17H2,1-4H3
InChIKeyVZHPQPKKISCKOD-UHFFFAOYSA-N
XLogP3.28
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide (CID 126466825) is N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide is CCn1cc(CN2CCC(C(Cc3ccc(F)cc3)N(C)C(=O)COC)CC2)c(C)n1.
What is the InChIKey of N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide?
The InChIKey is VZHPQPKKISCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O2/c1-5-29-16-21(18(2)26-29)15-28-12-10-20(11-13-28)23(27(3)24(30)17-31-4)14-19-6-8-22(25)9-7-19/h6-9,16,20,23H,5,10-15,17H2,1-4H3.
What are the key properties of N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide?
N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide has a molecular weight of 430.57 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 126466825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).