4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide

C18H29N5O2 — CID 72881725

IUPAC4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(Nc2nnc(C3CCC3)o2)CC1
InChIInChI=1S/C18H29N5O2/c24-18(20-14-7-2-1-3-8-14)23-11-9-15(10-12-23)19-17-22-21-16(25-17)13-5-4-6-13/h13-15H,1-12H2,(H,19,22)(H,20,24)
InChIKeyJBFHGIBYXDQNGL-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.26
Rot. Bonds4

About 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide

4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 72881725) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide
PubChem CID72881725
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(Nc2nnc(C3CCC3)o2)CC1
InChIInChI=1S/C18H29N5O2/c24-18(20-14-7-2-1-3-8-14)23-11-9-15(10-12-23)19-17-22-21-16(25-17)13-5-4-6-13/h13-15H,1-12H2,(H,19,22)(H,20,24)
InChIKeyJBFHGIBYXDQNGL-UHFFFAOYSA-N
XLogP3.26
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide (CID 72881725) is 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(Nc2nnc(C3CCC3)o2)CC1.
What is the InChIKey of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is JBFHGIBYXDQNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-18(20-14-7-2-1-3-8-14)23-11-9-15(10-12-23)19-17-22-21-16(25-17)13-5-4-6-13/h13-15H,1-12H2,(H,19,22)(H,20,24).
What are the key properties of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide?
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 72881725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).