N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

C16H26N4O3 — CID 53202092

IUPACN-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O3/c1-3-23-10-4-7-17-16(22)13-5-8-20(9-6-13)14-11-15(21)19(2)18-12-14/h11-13H,3-10H2,1-2H3,(H,17,22)
InChIKeyFRVNJZQPYVRMNF-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.54
Rot. Bonds7

About N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202092) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202092
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O3/c1-3-23-10-4-7-17-16(22)13-5-8-20(9-6-13)14-11-15(21)19(2)18-12-14/h11-13H,3-10H2,1-2H3,(H,17,22)
InChIKeyFRVNJZQPYVRMNF-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 53202092) is N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is FRVNJZQPYVRMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-23-10-4-7-17-16(22)13-5-8-20(9-6-13)14-11-15(21)19(2)18-12-14/h11-13H,3-10H2,1-2H3,(H,17,22).
What are the key properties of N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).