5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride

C18H25ClN4O — CID 136576209

IUPAC5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCl.c1ccc(Cc2nnc(NC3CCN(CC4CC4)CC3)o2)cc1
InChIInChI=1S/C18H24N4O.ClH/c1-2-4-14(5-3-1)12-17-20-21-18(23-17)19-16-8-10-22(11-9-16)13-15-6-7-15;/h1-5,15-16H,6-13H2,(H,19,21);1H
InChIKeyKKCMFKTTYZYDSK-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.37
Rot. Bonds6

About 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride

5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 136576209) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID136576209
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCl.c1ccc(Cc2nnc(NC3CCN(CC4CC4)CC3)o2)cc1
InChIInChI=1S/C18H24N4O.ClH/c1-2-4-14(5-3-1)12-17-20-21-18(23-17)19-16-8-10-22(11-9-16)13-15-6-7-15;/h1-5,15-16H,6-13H2,(H,19,21);1H
InChIKeyKKCMFKTTYZYDSK-UHFFFAOYSA-N
XLogP3.37
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride (CID 136576209) is 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride is Cl.c1ccc(Cc2nnc(NC3CCN(CC4CC4)CC3)o2)cc1.
What is the InChIKey of 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is KKCMFKTTYZYDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-2-4-14(5-3-1)12-17-20-21-18(23-17)19-16-8-10-22(11-9-16)13-15-6-7-15;/h1-5,15-16H,6-13H2,(H,19,21);1H.
What are the key properties of 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride?
5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 136576209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).