1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide

C15H23N3O2 — CID 80725596

IUPAC1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1cc(N)cc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-7-20-14-9-12(16)8-13(10-14)18-5-3-11(4-6-18)15(17)19/h8-11H,2-7,16H2,1H3,(H2,17,19)
InChIKeyOLJNZUXTQZOVJD-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds5

About 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide

1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide (PubChem CID 80725596) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide
PubChem CID80725596
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1cc(N)cc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-7-20-14-9-12(16)8-13(10-14)18-5-3-11(4-6-18)15(17)19/h8-11H,2-7,16H2,1H3,(H2,17,19)
InChIKeyOLJNZUXTQZOVJD-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 80730032
3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
CID 80731611
3-(4-methylazepan-1-yl)-5-propoxyaniline
CID 80735346
3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
CID 80727202
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-propoxyaniline
CID 80739834
1-(3-amino-5-propoxyphenyl)pyrrolidine-3,4-diol
CID 106667631
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-propoxyaniline
CID 80725023
3-(4,4-diethylpiperidin-1-yl)-5-propoxyaniline
CID 80740038
[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol
CID 80731187
3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
CID 102955686
3-ethoxy-5-pyrrolidin-1-ylaniline
CID 80725867
3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505085

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide (CID 80725596) is 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide is CCCOc1cc(N)cc(N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide?
The InChIKey is OLJNZUXTQZOVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-7-20-14-9-12(16)8-13(10-14)18-5-3-11(4-6-18)15(17)19/h8-11H,2-7,16H2,1H3,(H2,17,19).
What are the key properties of 1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide?
1-(3-amino-5-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-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 80725596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).