methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate

C20H22ClN3O3 — CID 23723262

IUPACmethyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C20H22ClN3O3/c1-27-20(26)15-6-9-18(22-11-15)19(25)23-17-3-2-10-24(13-17)12-14-4-7-16(21)8-5-14/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyUIMRCNPTVVMUNO-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.92
Rot. Bonds5

About methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate (PubChem CID 23723262) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate
PubChem CID23723262
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Namemethyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C20H22ClN3O3/c1-27-20(26)15-6-9-18(22-11-15)19(25)23-17-3-2-10-24(13-17)12-14-4-7-16(21)8-5-14/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyUIMRCNPTVVMUNO-UHFFFAOYSA-N
XLogP2.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate (CID 23723262) is methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)nc1.
What is the InChIKey of methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is UIMRCNPTVVMUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-20(26)15-6-9-18(22-11-15)19(25)23-17-3-2-10-24(13-17)12-14-4-7-16(21)8-5-14/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 387.87 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 23723262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).