N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C25H31FN4O — CID 30852832

IUPACN-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1nc(-c2ccccc2)no1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C25H31FN4O/c1-2-29(19-24-27-25(28-31-24)22-10-4-3-5-11-22)17-21-9-7-14-30(18-21)15-13-20-8-6-12-23(26)16-20/h3-6,8,10-12,16,21H,2,7,9,13-15,17-19H2,1H3/t21-/m0/s1
InChIKeyOHQBJNFGLRJNBY-NRFANRHFSA-N
MW422.55 g/mol
LogP4.65
Rot. Bonds9

About N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 30852832) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID30852832
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC NameN-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1nc(-c2ccccc2)no1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C25H31FN4O/c1-2-29(19-24-27-25(28-31-24)22-10-4-3-5-11-22)17-21-9-7-14-30(18-21)15-13-20-8-6-12-23(26)16-20/h3-6,8,10-12,16,21H,2,7,9,13-15,17-19H2,1H3/t21-/m0/s1
InChIKeyOHQBJNFGLRJNBY-NRFANRHFSA-N
XLogP4.65
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 45230784
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 45230318
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 45221873
1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 30852488
4-[4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenyl]but-3-yn-1-ol
CID 23723545
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 42393054
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(thiophen-3-ylmethyl)ethanamine
CID 45190351
N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 119919242
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
CID 42594720
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25274770
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-4-methyl-2-oxopentanamide
CID 42557076
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45235384

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 30852832) is N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCN(Cc1nc(-c2ccccc2)no1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1.
What is the InChIKey of N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is OHQBJNFGLRJNBY-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-2-29(19-24-27-25(28-31-24)22-10-4-3-5-11-22)17-21-9-7-14-30(18-21)15-13-20-8-6-12-23(26)16-20/h3-6,8,10-12,16,21H,2,7,9,13-15,17-19H2,1H3/t21-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 422.55 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 30852832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).