N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

C22H30N4O — CID 121119096

IUPACN-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2ccc(C)nn2)CC1)c1cccc(C)c1
InChIInChI=1S/C22H30N4O/c1-4-5-13-26(20-8-6-7-17(2)16-20)22(27)19-11-14-25(15-12-19)21-10-9-18(3)23-24-21/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyUKIUFARGYOZOGJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.14
Rot. Bonds6

About N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121119096) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121119096
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2ccc(C)nn2)CC1)c1cccc(C)c1
InChIInChI=1S/C22H30N4O/c1-4-5-13-26(20-8-6-7-17(2)16-20)22(27)19-11-14-25(15-12-19)21-10-9-18(3)23-24-21/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyUKIUFARGYOZOGJ-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (CID 121119096) is N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is CCCCN(C(=O)C1CCN(c2ccc(C)nn2)CC1)c1cccc(C)c1.
What is the InChIKey of N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is UKIUFARGYOZOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-5-13-26(20-8-6-7-17(2)16-20)22(27)19-11-14-25(15-12-19)21-10-9-18(3)23-24-21/h6-10,16,19H,4-5,11-15H2,1-3H3.
What are the key properties of N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121119096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).