2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide

C26H32N4O — CID 142203769

IUPAC2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(N4CC=CC=N4)cc3)CC2)c1
InChIInChI=1S/C26H32N4O/c1-20(2)26(31)28-24-7-5-6-23(18-24)22-12-16-29(17-13-22)19-21-8-10-25(11-9-21)30-15-4-3-14-27-30/h3-11,14,18,20,22H,12-13,15-17,19H2,1-2H3,(H,28,31)
InChIKeyVIFPYWHDCJAQQH-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.02
Rot. Bonds6

About 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide

2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 142203769) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
PubChem CID142203769
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(N4CC=CC=N4)cc3)CC2)c1
InChIInChI=1S/C26H32N4O/c1-20(2)26(31)28-24-7-5-6-23(18-24)22-12-16-29(17-13-22)19-21-8-10-25(11-9-21)30-15-4-3-14-27-30/h3-11,14,18,20,22H,12-13,15-17,19H2,1-2H3,(H,28,31)
InChIKeyVIFPYWHDCJAQQH-UHFFFAOYSA-N
XLogP5.02
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049346
N-[3-[1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048888
N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048629
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 16756522
N-[3-[1-[[3-(4-tert-butylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16756523
2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
CID 142203721
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-[1-[[1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049142
N-[3-[1-[[6-chloro-1-(2-methoxyphenyl)indol-2-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 91463640
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide (CID 142203769) is 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide is CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(N4CC=CC=N4)cc3)CC2)c1.
What is the InChIKey of 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is VIFPYWHDCJAQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-20(2)26(31)28-24-7-5-6-23(18-24)22-12-16-29(17-13-22)19-21-8-10-25(11-9-21)30-15-4-3-14-27-30/h3-11,14,18,20,22H,12-13,15-17,19H2,1-2H3,(H,28,31).
What are the key properties of 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 416.57 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 142203769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).