methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate

C23H27FN4O3 — CID 24816895

IUPACmethyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)nc1
InChIInChI=1S/C23H27FN4O3/c1-31-23(30)17-4-9-21(25-15-17)22(29)28-10-2-3-20(16-28)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h4-9,15,20H,2-3,10-14,16H2,1H3
InChIKeyQXAUWRYEKXQCBX-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.43
Rot. Bonds4

About methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 24816895) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID24816895
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Namemethyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)nc1
InChIInChI=1S/C23H27FN4O3/c1-31-23(30)17-4-9-21(25-15-17)22(29)28-10-2-3-20(16-28)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h4-9,15,20H,2-3,10-14,16H2,1H3
InChIKeyQXAUWRYEKXQCBX-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate (CID 24816895) is methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)nc1.
What is the InChIKey of methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is QXAUWRYEKXQCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-31-23(30)17-4-9-21(25-15-17)22(29)28-10-2-3-20(16-28)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h4-9,15,20H,2-3,10-14,16H2,1H3.
What are the key properties of methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 426.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 24816895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).