formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine

C19H28N4O5 — CID 154908701

IUPACformic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ccc(-c3ncon3)cc2)CC1.O=CO.O=CO
InChIInChI=1S/C17H24N4O.2CH2O2/c1-2-9-21-10-7-16(8-11-21)18-12-14-3-5-15(6-4-14)17-19-13-22-20-17;2*2-1-3/h3-6,13,16,18H,2,7-12H2,1H3;2*1H,(H,2,3)
InChIKeyPEPKWXZCLZKSNJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.10
Rot. Bonds6

About formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine

formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine (PubChem CID 154908701) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound Nameformic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine
PubChem CID154908701
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Nameformic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ccc(-c3ncon3)cc2)CC1.O=CO.O=CO
InChIInChI=1S/C17H24N4O.2CH2O2/c1-2-9-21-10-7-16(8-11-21)18-12-14-3-5-15(6-4-14)17-19-13-22-20-17;2*2-1-3/h3-6,13,16,18H,2,7-12H2,1H3;2*1H,(H,2,3)
InChIKeyPEPKWXZCLZKSNJ-UHFFFAOYSA-N
XLogP2.10
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine?
The IUPAC name of formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine (CID 154908701) is formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2ccc(-c3ncon3)cc2)CC1.O=CO.O=CO.
What is the InChIKey of formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine?
The InChIKey is PEPKWXZCLZKSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2CH2O2/c1-2-9-21-10-7-16(8-11-21)18-12-14-3-5-15(6-4-14)17-19-13-22-20-17;2*2-1-3/h3-6,13,16,18H,2,7-12H2,1H3;2*1H,(H,2,3).
What are the key properties of formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine?
formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 154908701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).