N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide

C23H32N4O2 — CID 44590945

IUPACN-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
SMILESCc1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1
InChIInChI=1S/C23H32N4O2/c1-16(27-13-11-20(12-14-27)23-24-17(2)26-29-23)15-21(18-7-4-3-5-8-18)25-22(28)19-9-6-10-19/h3-5,7-8,16,19-21H,6,9-15H2,1-2H3,(H,25,28)/t16?,21-/m0/s1
InChIKeyOFVRZICHCGTOPE-MRNPHLECSA-N
MW396.54 g/mol
LogP3.99
Rot. Bonds7

About N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide

N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide (PubChem CID 44590945) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
PubChem CID44590945
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
SMILESCc1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1
InChIInChI=1S/C23H32N4O2/c1-16(27-13-11-20(12-14-27)23-24-17(2)26-29-23)15-21(18-7-4-3-5-8-18)25-22(28)19-9-6-10-19/h3-5,7-8,16,19-21H,6,9-15H2,1-2H3,(H,25,28)/t16?,21-/m0/s1
InChIKeyOFVRZICHCGTOPE-MRNPHLECSA-N
XLogP3.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide (CID 44590945) is N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide is Cc1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1.
What is the InChIKey of N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide?
The InChIKey is OFVRZICHCGTOPE-MRNPHLECSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(27-13-11-20(12-14-27)23-24-17(2)26-29-23)15-21(18-7-4-3-5-8-18)25-22(28)19-9-6-10-19/h3-5,7-8,16,19-21H,6,9-15H2,1-2H3,(H,25,28)/t16?,21-/m0/s1.
What are the key properties of N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide?
N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide is sourced from PubChem (CID 44590945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).