1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C17H28N4O3 — CID 53203891

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H28N4O3/c1-13(2)24-9-5-7-18-17(23)14-6-4-8-21(12-14)15-10-16(22)20(3)19-11-15/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,23)
InChIKeyUVJDCHNYUFHBPZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.93
Rot. Bonds7

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 53203891) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID53203891
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H28N4O3/c1-13(2)24-9-5-7-18-17(23)14-6-4-8-21(12-14)15-10-16(22)20(3)19-11-15/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,23)
InChIKeyUVJDCHNYUFHBPZ-UHFFFAOYSA-N
XLogP0.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.93
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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Related Compounds

CID 56891455
CID 56891455
CID 70726045
CID 70726045
CID 53203878
CID 53203878
CID 53202084
CID 53202084
CID 53202153
CID 53202153
CID 53202164
CID 53202164
CID 53203753
CID 53203753
CID 53203759
CID 53203759
CID 53203765
CID 53203765
CID 53203777
CID 53203777
CID 53203822
CID 53203822
CID 53203828
CID 53203828

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 53203891) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is UVJDCHNYUFHBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(2)24-9-5-7-18-17(23)14-6-4-8-21(12-14)15-10-16(22)20(3)19-11-15/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,23).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).