N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide

C23H25FN4O3 — CID 75528468

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C23H25FN4O3/c1-30-19-11-16(12-20(13-19)31-2)23(29)25-18-7-9-28(10-8-18)22-14-21(26-27-22)15-3-5-17(24)6-4-15/h3-6,11-14,18H,7-10H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyXPGXUMTWNVMFCA-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.63
Rot. Bonds6

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide (PubChem CID 75528468) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide
PubChem CID75528468
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C23H25FN4O3/c1-30-19-11-16(12-20(13-19)31-2)23(29)25-18-7-9-28(10-8-18)22-14-21(26-27-22)15-3-5-17(24)6-4-15/h3-6,11-14,18H,7-10H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyXPGXUMTWNVMFCA-UHFFFAOYSA-N
XLogP3.63
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide (CID 75528468) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide?
The InChIKey is XPGXUMTWNVMFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-30-19-11-16(12-20(13-19)31-2)23(29)25-18-7-9-28(10-8-18)22-14-21(26-27-22)15-3-5-17(24)6-4-15/h3-6,11-14,18H,7-10H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide has a molecular weight of 424.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 75528468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).