5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride

C15H21Cl3N4O2 — CID 166745971

IUPAC5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
SMILESCC(Nc1cc(-c2n[nH]c(=O)o2)ccc1Cl)C1CCNCC1.Cl.Cl
InChIInChI=1S/C15H19ClN4O2.2ClH/c1-9(10-4-6-17-7-5-10)18-13-8-11(2-3-12(13)16)14-19-20-15(21)22-14;;/h2-3,8-10,17-18H,4-7H2,1H3,(H,20,21);2*1H
InChIKeyXXVRRMISPOVOFA-UHFFFAOYSA-N
MW395.72 g/mol
LogP3.33
Rot. Bonds4

About 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride

5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride (PubChem CID 166745971) has the molecular formula C15H21Cl3N4O2 and a molecular weight of 395.72 g/mol. Its IUPAC name is 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride.

Molecular Properties

Compound Name5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
PubChem CID166745971
Molecular FormulaC15H21Cl3N4O2
Molecular Weight395.72 g/mol
Exact Mass394.07
IUPAC Name5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
SMILESCC(Nc1cc(-c2n[nH]c(=O)o2)ccc1Cl)C1CCNCC1.Cl.Cl
InChIInChI=1S/C15H19ClN4O2.2ClH/c1-9(10-4-6-17-7-5-10)18-13-8-11(2-3-12(13)16)14-19-20-15(21)22-14;;/h2-3,8-10,17-18H,4-7H2,1H3,(H,20,21);2*1H
InChIKeyXXVRRMISPOVOFA-UHFFFAOYSA-N
XLogP3.33
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.72
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride with MolForge

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Related Compounds

5-[3-chloro-4-methyl-5-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 166745804
5-[4-chloro-3-[1-[(3S,4S)-3-methylpiperidin-4-yl]ethylamino]phenyl]-3H-1,3,4-oxadiazol-2-one
CID 166745502
4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(1-piperidin-4-ylethylamino)benzonitrile;hydrochloride
CID 166746142
4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-(1-piperidin-4-ylethylamino)benzonitrile
CID 166745805
5-[4-chloro-3-[[(1S)-1-piperidin-4-ylethyl]amino]-5-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 156761345
5-[3-chloro-5-[[(1S)-1-piperidin-4-ylethyl]amino]phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
CID 156761012
5-[4-chloro-3-nitro-5-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 166745635
5-[3-fluoro-5-(1-piperidin-4-ylethylamino)-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 166745486
5-[4-(trifluoromethyl)-3-[(2,2,2-trifluoro-1-piperidin-4-ylethyl)amino]phenyl]-3H-1,3,4-oxadiazol-2-one;hydrochloride
CID 166745483
5-[4-chloro-2,5-difluoro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;hydrochloride
CID 166745787
5-[4-(difluoromethoxy)-3-[1-[(3S,4S)-3-methylpiperidin-4-yl]ethylamino]phenyl]-3H-1,3,4-oxadiazol-2-one;hydrochloride
CID 166746089
5-[3-[[(1S)-1-[4-(2-hydroxyethylamino)cyclohexyl]ethyl]amino]-4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 156761221

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
The IUPAC name of 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride (CID 166745971) is 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride.
What is the SMILES notation for 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
The canonical SMILES for 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride is CC(Nc1cc(-c2n[nH]c(=O)o2)ccc1Cl)C1CCNCC1.Cl.Cl.
What is the InChIKey of 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
The InChIKey is XXVRRMISPOVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2.2ClH/c1-9(10-4-6-17-7-5-10)18-13-8-11(2-3-12(13)16)14-19-20-15(21)22-14;;/h2-3,8-10,17-18H,4-7H2,1H3,(H,20,21);2*1H.
What are the key properties of 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride has a molecular weight of 395.72 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(1-piperidin-4-ylethylamino)phenyl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride is sourced from PubChem (CID 166745971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).