N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide

C23H33N5O2 — CID 24782552

IUPACN-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)C1CCCCC1
InChIInChI=1S/C23H33N5O2/c29-21(18-8-3-1-4-9-18)25-20-12-10-19(11-13-20)22-26-27-23(30-22)24-14-7-17-28-15-5-2-6-16-28/h10-13,18H,1-9,14-17H2,(H,24,27)(H,25,29)
InChIKeyPBRSZGRQNRVBHT-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.54
Rot. Bonds8

About N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide

N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 24782552) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID24782552
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)C1CCCCC1
InChIInChI=1S/C23H33N5O2/c29-21(18-8-3-1-4-9-18)25-20-12-10-19(11-13-20)22-26-27-23(30-22)24-14-7-17-28-15-5-2-6-16-28/h10-13,18H,1-9,14-17H2,(H,24,27)(H,25,29)
InChIKeyPBRSZGRQNRVBHT-UHFFFAOYSA-N
XLogP4.54
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide (CID 24782552) is N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is PBRSZGRQNRVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c29-21(18-8-3-1-4-9-18)25-20-12-10-19(11-13-20)22-26-27-23(30-22)24-14-7-17-28-15-5-2-6-16-28/h10-13,18H,1-9,14-17H2,(H,24,27)(H,25,29).
What are the key properties of N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide?
N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 24782552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).