5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one

C19H31N5O2 — CID 53202123

IUPAC5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCCCCN1CCN(C(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-4-7-22-10-12-24(13-11-22)19(26)16-5-8-23(9-6-16)17-14-18(25)21(2)20-15-17/h14-16H,3-13H2,1-2H3
InChIKeyLKPBGRDRJGUUCO-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.94
Rot. Bonds5

About 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one

5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 53202123) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID53202123
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCCCCN1CCN(C(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-4-7-22-10-12-24(13-11-22)19(26)16-5-8-23(9-6-16)17-14-18(25)21(2)20-15-17/h14-16H,3-13H2,1-2H3
InChIKeyLKPBGRDRJGUUCO-UHFFFAOYSA-N
XLogP0.94
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one (CID 53202123) is 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one is CCCCN1CCN(C(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)CC1.
What is the InChIKey of 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is LKPBGRDRJGUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-4-7-22-10-12-24(13-11-22)19(26)16-5-8-23(9-6-16)17-14-18(25)21(2)20-15-17/h14-16H,3-13H2,1-2H3.
What are the key properties of 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one?
5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 361.49 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 53202123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).