3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C20H29N5O — CID 72939419

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCN(Cc2noc(CN3CCC(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C20H29N5O/c1-23-11-13-25(14-12-23)15-19-21-20(26-22-19)16-24-9-7-18(8-10-24)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeyYUUMVDWOIOSZIS-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.20
Rot. Bonds5

About 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 72939419) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID72939419
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCN(Cc2noc(CN3CCC(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C20H29N5O/c1-23-11-13-25(14-12-23)15-19-21-20(26-22-19)16-24-9-7-18(8-10-24)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeyYUUMVDWOIOSZIS-UHFFFAOYSA-N
XLogP2.20
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72841088
3-[(3-fluorophenyl)methyl]-5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 45242569
4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
CID 60506197
3-benzyl-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773469
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 78845832
3-benzyl-5-[[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 167801523
2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
CID 25366019
5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 91833402
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
1-[1-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111114040
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751532

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 72939419) is 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is CN1CCN(Cc2noc(CN3CCC(c4ccccc4)CC3)n2)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YUUMVDWOIOSZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-23-11-13-25(14-12-23)15-19-21-20(26-22-19)16-24-9-7-18(8-10-24)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 355.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72939419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).