N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide

C28H34N6O3 — CID 66710206

IUPACN-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCc1cc(CN2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)CC2)no1
InChIInChI=1S/C28H34N6O3/c1-21-17-25(31-37-21)20-33-13-15-34(16-14-33)28(36)23-7-8-26(29-18-23)27(35)30-24-9-11-32(12-10-24)19-22-5-3-2-4-6-22/h2-8,17-18,24H,9-16,19-20H2,1H3,(H,30,35)
InChIKeyGWJLUAVBJOJUAI-UHFFFAOYSA-N
MW502.62 g/mol
LogP2.73
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710206) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710206
Molecular FormulaC28H34N6O3
Molecular Weight502.62 g/mol
Exact Mass502.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCc1cc(CN2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)CC2)no1
InChIInChI=1S/C28H34N6O3/c1-21-17-25(31-37-21)20-33-13-15-34(16-14-33)28(36)23-7-8-26(29-18-23)27(35)30-24-9-11-32(12-10-24)19-22-5-3-2-4-6-22/h2-8,17-18,24H,9-16,19-20H2,1H3,(H,30,35)
InChIKeyGWJLUAVBJOJUAI-UHFFFAOYSA-N
XLogP2.73
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (CID 66710206) is N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is Cc1cc(CN2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)CC2)no1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is GWJLUAVBJOJUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-21-17-25(31-37-21)20-33-13-15-34(16-14-33)28(36)23-7-8-26(29-18-23)27(35)30-24-9-11-32(12-10-24)19-22-5-3-2-4-6-22/h2-8,17-18,24H,9-16,19-20H2,1H3,(H,30,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).