3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole

C14H21N3O — CID 139934710

IUPAC3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole
SMILESc1ccc2c(c1)NON2CCCN1CCCCC1
InChIInChI=1S/C14H21N3O/c1-4-9-16(10-5-1)11-6-12-17-14-8-3-2-7-13(14)15-18-17/h2-3,7-8,15H,1,4-6,9-12H2
InChIKeyCTCQACLUZGWLAC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds4

About 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole

3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole (PubChem CID 139934710) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole
PubChem CID139934710
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole
SMILESc1ccc2c(c1)NON2CCCN1CCCCC1
InChIInChI=1S/C14H21N3O/c1-4-9-16(10-5-1)11-6-12-17-14-8-3-2-7-13(14)15-18-17/h2-3,7-8,15H,1,4-6,9-12H2
InChIKeyCTCQACLUZGWLAC-UHFFFAOYSA-N
XLogP2.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 54961069
11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione
CID 163455724
3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 115318527
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
11-(5-pyrrolidin-1-ylpentyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 10131774
10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine
CID 23186725
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
1-(4-piperidin-1-ylbutyl)-3,4-dihydro-1-benzazepine-2,5-dione
CID 68585872
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine
CID 89190385

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole?
The IUPAC name of 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole (CID 139934710) is 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole.
What is the SMILES notation for 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole?
The canonical SMILES for 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole is c1ccc2c(c1)NON2CCCN1CCCCC1.
What is the InChIKey of 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole?
The InChIKey is CTCQACLUZGWLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-9-16(10-5-1)11-6-12-17-14-8-3-2-7-13(14)15-18-17/h2-3,7-8,15H,1,4-6,9-12H2.
What are the key properties of 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole?
3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole has a molecular weight of 247.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpropyl)-1H-2,1,3-benzoxadiazole is sourced from PubChem (CID 139934710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).