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

C23H28N4O3 — CID 24791265

IUPACmethyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)nc1
InChIInChI=1S/C23H28N4O3/c1-30-23(29)18-9-10-21(24-16-18)22(28)27-11-5-8-20(17-27)26-14-12-25(13-15-26)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3
InChIKeyUJCFPRRAUJRDPK-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.30
Rot. Bonds4

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

methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 24791265) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID24791265
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Namemethyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)nc1
InChIInChI=1S/C23H28N4O3/c1-30-23(29)18-9-10-21(24-16-18)22(28)27-11-5-8-20(17-27)26-14-12-25(13-15-26)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3
InChIKeyUJCFPRRAUJRDPK-UHFFFAOYSA-N
XLogP2.30
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[3-(4-phenylpiperazin-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-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate (CID 24791265) is methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)nc1.
What is the InChIKey of methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is UJCFPRRAUJRDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-30-23(29)18-9-10-21(24-16-18)22(28)27-11-5-8-20(17-27)26-14-12-25(13-15-26)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3.
What are the key properties of methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 2.30, 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-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 24791265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).