methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate

C24H25N3O2 — CID 14987941

IUPACmethyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1
InChIInChI=1S/C24H25N3O2/c1-29-24(28)21-12-13-22(25-18-21)26-14-16-27(17-15-26)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,23H,14-17H2,1H3
InChIKeyJZGHZRINJSPUKC-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.78
Rot. Bonds5

About methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate

methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate (PubChem CID 14987941) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
PubChem CID14987941
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Namemethyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1
InChIInChI=1S/C24H25N3O2/c1-29-24(28)21-12-13-22(25-18-21)26-14-16-27(17-15-26)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,23H,14-17H2,1H3
InChIKeyJZGHZRINJSPUKC-UHFFFAOYSA-N
XLogP3.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
CID 134258128
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
methyl 4-[(4-benzhydrylpiperazin-1-yl)sulfonylmethyl]benzoate
CID 92682652
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
CID 22492996
ethyl 6-[4-(2-phenoxy-2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55911339
methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
CID 126434233
methyl 6-[(R)-bromo(phenyl)methyl]pyridine-3-carboxylate
CID 99864587
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate (CID 14987941) is methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1.
What is the InChIKey of methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate?
The InChIKey is JZGHZRINJSPUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-24(28)21-12-13-22(25-18-21)26-14-16-27(17-15-26)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,23H,14-17H2,1H3.
What are the key properties of methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate?
methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 14987941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).