(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone

C16H24N2O2 — CID 83052501

IUPAC(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-3-6-13-7-4-5-10-18(13)16(19)12-8-9-15(20-2)14(17)11-12/h8-9,11,13H,3-7,10,17H2,1-2H3
InChIKeyRTJAKWSVANKXRD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds4

About (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone

(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83052501) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83052501
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-3-6-13-7-4-5-10-18(13)16(19)12-8-9-15(20-2)14(17)11-12/h8-9,11,13H,3-7,10,17H2,1-2H3
InChIKeyRTJAKWSVANKXRD-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83045573
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-amino-4-methoxyphenyl)methanone
CID 82747080
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
3-[(2S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688675
3-[(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688643
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone (CID 83052501) is (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is RTJAKWSVANKXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-6-13-7-4-5-10-18(13)16(19)12-8-9-15(20-2)14(17)11-12/h8-9,11,13H,3-7,10,17H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone?
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83052501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).