N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide

C25H26N4O3 — CID 134800937

IUPACN-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)nn1
InChIInChI=1S/C25H26N4O3/c1-32-24-12-11-22(27-28-24)20-9-5-6-10-21(20)25(31)29-15-13-19(14-16-29)26-23(30)17-18-7-3-2-4-8-18/h2-12,19H,13-17H2,1H3,(H,26,30)
InChIKeyIUWDMMVDPUDAHP-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.12
Rot. Bonds6

About N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 134800937) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID134800937
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)nn1
InChIInChI=1S/C25H26N4O3/c1-32-24-12-11-22(27-28-24)20-9-5-6-10-21(20)25(31)29-15-13-19(14-16-29)26-23(30)17-18-7-3-2-4-8-18/h2-12,19H,13-17H2,1H3,(H,26,30)
InChIKeyIUWDMMVDPUDAHP-UHFFFAOYSA-N
XLogP3.12
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide (CID 134800937) is N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide is COc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)nn1.
What is the InChIKey of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is IUWDMMVDPUDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-32-24-12-11-22(27-28-24)20-9-5-6-10-21(20)25(31)29-15-13-19(14-16-29)26-23(30)17-18-7-3-2-4-8-18/h2-12,19H,13-17H2,1H3,(H,26,30).
What are the key properties of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 430.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 134800937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).