4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide

C23H30FN3O3 — CID 10364537

IUPAC4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)NC1(C)CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O3/c1-23(26-22(28)20-9-6-18(25)16-21(20)29-2)10-13-27(14-11-23)12-3-15-30-19-7-4-17(24)5-8-19/h4-9,16H,3,10-15,25H2,1-2H3,(H,26,28)
InChIKeyJSSCAPSSUCIMNO-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.47
Rot. Bonds8

About 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide

4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide (PubChem CID 10364537) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide
PubChem CID10364537
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)NC1(C)CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O3/c1-23(26-22(28)20-9-6-18(25)16-21(20)29-2)10-13-27(14-11-23)12-3-15-30-19-7-4-17(24)5-8-19/h4-9,16H,3,10-15,25H2,1-2H3,(H,26,28)
InChIKeyJSSCAPSSUCIMNO-UHFFFAOYSA-N
XLogP3.47
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 15093874
4-amino-5-chloro-N-[(3R,4S)-3-fluoro-1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-2-methoxybenzamide
CID 66635621
4-amino-5-chloro-N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 6604902
1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 14407140
4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
CID 6917697
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106324512
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
ethyl 4-amino-2-(3-pyrrolidin-1-ylpropoxy)benzoate
CID 106955343
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
4-acetamido-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 15096838

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide (CID 10364537) is 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide is COc1cc(N)ccc1C(=O)NC1(C)CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide?
The InChIKey is JSSCAPSSUCIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-23(26-22(28)20-9-6-18(25)16-21(20)29-2)10-13-27(14-11-23)12-3-15-30-19-7-4-17(24)5-8-19/h4-9,16H,3,10-15,25H2,1-2H3,(H,26,28).
What are the key properties of 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide?
4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide has a molecular weight of 415.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 10364537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).