N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

C25H38N4O5 — CID 67331445

IUPACN-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)cc(C)c1C(=O)NCC(O)CO
InChIInChI=1S/C25H38N4O5/c1-16(2)23-27-25(34-28-23)29-9-7-19(8-10-29)6-5-11-33-21-12-17(3)22(18(4)13-21)24(32)26-14-20(31)15-30/h12-13,16,19-20,30-31H,5-11,14-15H2,1-4H3,(H,26,32)
InChIKeyLRJXOMXMQCYYFW-UHFFFAOYSA-N
MW474.60 g/mol
LogP2.97
Rot. Bonds11

About N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (PubChem CID 67331445) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
PubChem CID67331445
Molecular FormulaC25H38N4O5
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC NameN-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)cc(C)c1C(=O)NCC(O)CO
InChIInChI=1S/C25H38N4O5/c1-16(2)23-27-25(34-28-23)29-9-7-19(8-10-29)6-5-11-33-21-12-17(3)22(18(4)13-21)24(32)26-14-20(31)15-30/h12-13,16,19-20,30-31H,5-11,14-15H2,1-4H3,(H,26,32)
InChIKeyLRJXOMXMQCYYFW-UHFFFAOYSA-N
XLogP2.97
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (CID 67331445) is N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is Cc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)cc(C)c1C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The InChIKey is LRJXOMXMQCYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O5/c1-16(2)23-27-25(34-28-23)29-9-7-19(8-10-29)6-5-11-33-21-12-17(3)22(18(4)13-21)24(32)26-14-20(31)15-30/h12-13,16,19-20,30-31H,5-11,14-15H2,1-4H3,(H,26,32).
What are the key properties of N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide has a molecular weight of 474.60 g/mol, XLogP of 2.97, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2,6-dimethyl-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is sourced from PubChem (CID 67331445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).