1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide

C15H23N3O2 — CID 63678334

IUPAC1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide
SMILESCCCOc1cc(N2CCCCC2C(N)=O)ccc1N
InChIInChI=1S/C15H23N3O2/c1-2-9-20-14-10-11(6-7-12(14)16)18-8-4-3-5-13(18)15(17)19/h6-7,10,13H,2-5,8-9,16H2,1H3,(H2,17,19)
InChIKeyUQARVXXIJBYFSI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds5

About 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide

1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide (PubChem CID 63678334) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide
PubChem CID63678334
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide
SMILESCCCOc1cc(N2CCCCC2C(N)=O)ccc1N
InChIInChI=1S/C15H23N3O2/c1-2-9-20-14-10-11(6-7-12(14)16)18-8-4-3-5-13(18)15(17)19/h6-7,10,13H,2-5,8-9,16H2,1H3,(H2,17,19)
InChIKeyUQARVXXIJBYFSI-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide
CID 63669903
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777483
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxyaniline
CID 115558926
1-[4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 54984589
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
CID 80739485
4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline
CID 63671675
4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
CID 63671664
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
4-amino-3-propoxybenzamide
CID 63356295
4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline
CID 63675552

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide (CID 63678334) is 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide is CCCOc1cc(N2CCCCC2C(N)=O)ccc1N.
What is the InChIKey of 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide?
The InChIKey is UQARVXXIJBYFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-9-20-14-10-11(6-7-12(14)16)18-8-4-3-5-13(18)15(17)19/h6-7,10,13H,2-5,8-9,16H2,1H3,(H2,17,19).
What are the key properties of 1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide?
1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.90, 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-2-carboxamide is sourced from PubChem (CID 63678334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).