3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C17H26N2O2 — CID 103504960

IUPAC3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCOc2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)14-7-10-19(11-8-14)17(20)9-12-21-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyYFKVPCVBEMDHGL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.93
Rot. Bonds5

About 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 103504960) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID103504960
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCOc2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)14-7-10-19(11-8-14)17(20)9-12-21-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyYFKVPCVBEMDHGL-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one 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

3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 106835109
3-(4-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 61093576
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
3-(4-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 107209792
3-(4-aminophenoxy)-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106666931
3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 61092207
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972
5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 142712233
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
3-(4-aminophenoxy)-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63604670
3-(4-aminophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209724
4-[3-(4-aminophenoxy)propanoyl]piperazine-2,6-dione
CID 66084254

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 103504960) is 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)CCOc2ccc(N)cc2)CC1.
What is the InChIKey of 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is YFKVPCVBEMDHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)14-7-10-19(11-8-14)17(20)9-12-21-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12,18H2,1-2H3.
What are the key properties of 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103504960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).