N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide

C22H24N4O2 — CID 72891106

IUPACN-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CCCN(Cc2ncon2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c27-22(20-10-8-19(9-11-20)18-6-2-1-3-7-18)23-13-17-5-4-12-26(14-17)15-21-24-16-28-25-21/h1-3,6-11,16-17H,4-5,12-15H2,(H,23,27)
InChIKeyZNAPJLNSXXVDQP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.38
Rot. Bonds6

About N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide

N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide (PubChem CID 72891106) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
PubChem CID72891106
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CCCN(Cc2ncon2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c27-22(20-10-8-19(9-11-20)18-6-2-1-3-7-18)23-13-17-5-4-12-26(14-17)15-21-24-16-28-25-21/h1-3,6-11,16-17H,4-5,12-15H2,(H,23,27)
InChIKeyZNAPJLNSXXVDQP-UHFFFAOYSA-N
XLogP3.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97282396
4-phenyl-N-[[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 72916739
N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45243187
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
2-methoxy-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 55259133
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45182249
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 97268124

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide (CID 72891106) is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide is O=C(NCC1CCCN(Cc2ncon2)C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
The InChIKey is ZNAPJLNSXXVDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(20-10-8-19(9-11-20)18-6-2-1-3-7-18)23-13-17-5-4-12-26(14-17)15-21-24-16-28-25-21/h1-3,6-11,16-17H,4-5,12-15H2,(H,23,27).
What are the key properties of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide?
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 72891106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).