N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C18H30N4O2 — CID 53202143

IUPACN-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCC(C)C)CC2)cc1=O
InChIInChI=1S/C18H30N4O2/c1-4-9-22-17(23)12-16(13-20-22)21-10-6-15(7-11-21)18(24)19-8-5-14(2)3/h12-15H,4-11H2,1-3H3,(H,19,24)
InChIKeyBJMWPUPVQACAPC-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.03
Rot. Bonds7

About N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202143) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202143
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCC(C)C)CC2)cc1=O
InChIInChI=1S/C18H30N4O2/c1-4-9-22-17(23)12-16(13-20-22)21-10-6-15(7-11-21)18(24)19-8-5-14(2)3/h12-15H,4-11H2,1-3H3,(H,19,24)
InChIKeyBJMWPUPVQACAPC-UHFFFAOYSA-N
XLogP2.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202143) is N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCCC(C)C)CC2)cc1=O.
What is the InChIKey of N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is BJMWPUPVQACAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-9-22-17(23)12-16(13-20-22)21-10-6-15(7-11-21)18(24)19-8-5-14(2)3/h12-15H,4-11H2,1-3H3,(H,19,24).
What are the key properties of N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).