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

C18H24N4O — CID 136576210

IUPAC5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NC3CCN(CC4CC4)CC3)o2)cc1
InChIInChI=1S/C18H24N4O/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)
InChIKeyRSECONNLHDWRCW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds6

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

5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 136576210) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
PubChem CID136576210
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NC3CCN(CC4CC4)CC3)o2)cc1
InChIInChI=1S/C18H24N4O/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)
InChIKeyRSECONNLHDWRCW-UHFFFAOYSA-N
XLogP2.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 136576209
5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine
CID 15919005
5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 106966826
N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 56815552
5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 137340433
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 154868110
3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541355
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110653301
2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137403
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 137338659

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine (CID 136576210) is 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine is 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?
The InChIKey is RSECONNLHDWRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/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).
What are the key properties of 5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.95, 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 is sourced from PubChem (CID 136576210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).