N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine

C24H30FN5O — CID 97256748

IUPACN-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESCc1ccc(-c2noc([C@@H](C)N(C)C3CCN(CCc4ccncc4)CC3)n2)cc1F
InChIInChI=1S/C24H30FN5O/c1-17-4-5-20(16-22(17)25)23-27-24(31-28-23)18(2)29(3)21-9-14-30(15-10-21)13-8-19-6-11-26-12-7-19/h4-7,11-12,16,18,21H,8-10,13-15H2,1-3H3/t18-/m1/s1
InChIKeyGZPXTFRVZBIGNH-GOSISDBHSA-N
MW423.54 g/mol
LogP4.28
Rot. Bonds7

About N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine

N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine (PubChem CID 97256748) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine
PubChem CID97256748
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC NameN-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESCc1ccc(-c2noc([C@@H](C)N(C)C3CCN(CCc4ccncc4)CC3)n2)cc1F
InChIInChI=1S/C24H30FN5O/c1-17-4-5-20(16-22(17)25)23-27-24(31-28-23)18(2)29(3)21-9-14-30(15-10-21)13-8-19-6-11-26-12-7-19/h4-7,11-12,16,18,21H,8-10,13-15H2,1-3H3/t18-/m1/s1
InChIKeyGZPXTFRVZBIGNH-GOSISDBHSA-N
XLogP4.28
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine (CID 97256748) is N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine is Cc1ccc(-c2noc([C@@H](C)N(C)C3CCN(CCc4ccncc4)CC3)n2)cc1F.
What is the InChIKey of N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The InChIKey is GZPXTFRVZBIGNH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30FN5O/c1-17-4-5-20(16-22(17)25)23-27-24(31-28-23)18(2)29(3)21-9-14-30(15-10-21)13-8-19-6-11-26-12-7-19/h4-7,11-12,16,18,21H,8-10,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine has a molecular weight of 423.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-1-(2-pyridin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 97256748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).