N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C19H24N4O3 — CID 53202071

IUPACN-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-13(15-4-3-5-17(10-15)26-2)21-19(25)14-6-8-23(9-7-14)16-11-18(24)22-20-12-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVXRLMZYJXNAHBH-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.87
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202071) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202071
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-13(15-4-3-5-17(10-15)26-2)21-19(25)14-6-8-23(9-7-14)16-11-18(24)22-20-12-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVXRLMZYJXNAHBH-UHFFFAOYSA-N
XLogP1.87
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202071) is N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is COc1cccc(C(C)NC(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is VXRLMZYJXNAHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(15-4-3-5-17(10-15)26-2)21-19(25)14-6-8-23(9-7-14)16-11-18(24)22-20-12-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).