1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide

C15H23N3O2 — CID 63670917

IUPAC1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1cc(N2CCC(C(N)=O)CC2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-2-9-20-14-10-12(3-4-13(14)16)18-7-5-11(6-8-18)15(17)19/h3-4,10-11H,2,5-9,16H2,1H3,(H2,17,19)
InChIKeyWDUPUQYFWVXICZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds5

About 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide

1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide (PubChem CID 63670917) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide
PubChem CID63670917
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1cc(N2CCC(C(N)=O)CC2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-2-9-20-14-10-12(3-4-13(14)16)18-7-5-11(6-8-18)15(17)19/h3-4,10-11H,2,5-9,16H2,1H3,(H2,17,19)
InChIKeyWDUPUQYFWVXICZ-UHFFFAOYSA-N
XLogP1.76
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide (CID 63670917) is 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide is CCCOc1cc(N2CCC(C(N)=O)CC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide?
The InChIKey is WDUPUQYFWVXICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-9-20-14-10-12(3-4-13(14)16)18-7-5-11(6-8-18)15(17)19/h3-4,10-11H,2,5-9,16H2,1H3,(H2,17,19).
What are the key properties of 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide?
1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 63670917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).