N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline

C15H20N4O — CID 62654694

IUPACN-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCN1CCCC(CNc2ccc(-c3nnco3)cc2)C1
InChIInChI=1S/C15H20N4O/c1-19-8-2-3-12(10-19)9-16-14-6-4-13(5-7-14)15-18-17-11-20-15/h4-7,11-12,16H,2-3,8-10H2,1H3
InChIKeyRODFYUMLLRDIKL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.49
Rot. Bonds4

About N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline

N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 62654694) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID62654694
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCN1CCCC(CNc2ccc(-c3nnco3)cc2)C1
InChIInChI=1S/C15H20N4O/c1-19-8-2-3-12(10-19)9-16-14-6-4-13(5-7-14)15-18-17-11-20-15/h4-7,11-12,16H,2-3,8-10H2,1H3
InChIKeyRODFYUMLLRDIKL-UHFFFAOYSA-N
XLogP2.49
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 62654694) is N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is CN1CCCC(CNc2ccc(-c3nnco3)cc2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is RODFYUMLLRDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-8-2-3-12(10-19)9-16-14-6-4-13(5-7-14)15-18-17-11-20-15/h4-7,11-12,16H,2-3,8-10H2,1H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 272.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 62654694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).