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

C15H24N4O2 — CID 53202012

IUPACN-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)3-6-16-15(21)12-4-7-19(8-5-12)13-9-14(20)18-17-10-13/h9-12H,3-8H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyRWBYUAISVFCQDM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.15
Rot. Bonds5

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

N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202012) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202012
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)3-6-16-15(21)12-4-7-19(8-5-12)13-9-14(20)18-17-10-13/h9-12H,3-8H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyRWBYUAISVFCQDM-UHFFFAOYSA-N
XLogP1.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
4-[3-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91917369
N-Cyclopropyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91917542
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202050

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202012) is N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is RWBYUAISVFCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)3-6-16-15(21)12-4-7-19(8-5-12)13-9-14(20)18-17-10-13/h9-12H,3-8H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).