N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide

C25H36N4O2 — CID 44590946

IUPACN-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide
SMILESCC(C)c1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H36N4O2/c1-17(2)23-27-25(31-28-23)21-12-14-29(15-13-21)18(3)16-22(19-8-5-4-6-9-19)26-24(30)20-10-7-11-20/h4-6,8-9,17-18,20-22H,7,10-16H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
InChIKeyYXWWRPHSVBRJJH-YSYXNDDBSA-N
MW424.59 g/mol
LogP4.81
Rot. Bonds8

About N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide

N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide (PubChem CID 44590946) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide
PubChem CID44590946
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide
SMILESCC(C)c1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H36N4O2/c1-17(2)23-27-25(31-28-23)21-12-14-29(15-13-21)18(3)16-22(19-8-5-4-6-9-19)26-24(30)20-10-7-11-20/h4-6,8-9,17-18,20-22H,7,10-16H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
InChIKeyYXWWRPHSVBRJJH-YSYXNDDBSA-N
XLogP4.81
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide (CID 44590946) is N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide is CC(C)c1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1.
What is the InChIKey of N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide?
The InChIKey is YXWWRPHSVBRJJH-YSYXNDDBSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17(2)23-27-25(31-28-23)21-12-14-29(15-13-21)18(3)16-22(19-8-5-4-6-9-19)26-24(30)20-10-7-11-20/h4-6,8-9,17-18,20-22H,7,10-16H2,1-3H3,(H,26,30)/t18?,22-/m0/s1.
What are the key properties of N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide?
N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide is sourced from PubChem (CID 44590946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).