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

C15H23N3O2 — CID 63669903

IUPAC1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide
SMILESCCCOc1cc(N2CCCC(C(N)=O)C2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-2-8-20-14-9-12(5-6-13(14)16)18-7-3-4-11(10-18)15(17)19/h5-6,9,11H,2-4,7-8,10,16H2,1H3,(H2,17,19)
InChIKeyTUEILMRRWNWXPU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds5

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

1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide (PubChem CID 63669903) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide
PubChem CID63669903
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide
SMILESCCCOc1cc(N2CCCC(C(N)=O)C2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-2-8-20-14-9-12(5-6-13(14)16)18-7-3-4-11(10-18)15(17)19/h5-6,9,11H,2-4,7-8,10,16H2,1H3,(H2,17,19)
InChIKeyTUEILMRRWNWXPU-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'}

Analyze 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide
CID 63678334
4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline
CID 63671675
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxyaniline
CID 115558926
4-(4-methyl-1,4-diazepan-1-yl)-2-propoxyaniline
CID 63671935
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxyaniline
CID 63670322
2-propoxy-4-thiomorpholin-4-ylaniline
CID 63672277
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
4-(4-amino-3-propoxyphenyl)-1-methylpiperazin-2-one
CID 64682580
1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
CID 80726633
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
CID 83004888

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide (CID 63669903) is 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide is CCCOc1cc(N2CCCC(C(N)=O)C2)ccc1N.
What is the InChIKey of 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide?
The InChIKey is TUEILMRRWNWXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-8-20-14-9-12(5-6-13(14)16)18-7-3-4-11(10-18)15(17)19/h5-6,9,11H,2-4,7-8,10,16H2,1H3,(H2,17,19).
What are the key properties of 1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide?
1-(4-amino-3-propoxyphenyl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 63669903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).