1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine

C22H26N4O2 — CID 31224686

IUPAC1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
SMILESCOc1cccc(-c2ccc(N3CCC(NCc4nnc(C)o4)CC3)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-16-24-25-22(28-16)15-23-19-10-12-26(13-11-19)20-8-6-17(7-9-20)18-4-3-5-21(14-18)27-2/h3-9,14,19,23H,10-13,15H2,1-2H3
InChIKeyCSKLIMUXGOKNIB-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.81
Rot. Bonds6

About 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine

1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 31224686) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
PubChem CID31224686
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
SMILESCOc1cccc(-c2ccc(N3CCC(NCc4nnc(C)o4)CC3)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-16-24-25-22(28-16)15-23-19-10-12-26(13-11-19)20-8-6-17(7-9-20)18-4-3-5-21(14-18)27-2/h3-9,14,19,23H,10-13,15H2,1-2H3
InChIKeyCSKLIMUXGOKNIB-UHFFFAOYSA-N
XLogP3.81
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
CID 29183775
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrrolidin-1-ylaniline
CID 110652866
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine
CID 131901463
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 56799978
(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
CID 95047414
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine (CID 31224686) is 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine is COc1cccc(-c2ccc(N3CCC(NCc4nnc(C)o4)CC3)cc2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is CSKLIMUXGOKNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-24-25-22(28-16)15-23-19-10-12-26(13-11-19)20-8-6-17(7-9-20)18-4-3-5-21(14-18)27-2/h3-9,14,19,23H,10-13,15H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 31224686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).