4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one

C18H27FN4O2 — CID 59452779

IUPAC4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one
SMILESCOc1cc(N2CCC(N3CCN(CCF)C(=O)C3)CC2)ccc1N
InChIInChI=1S/C18H27FN4O2/c1-25-17-12-15(2-3-16(17)20)21-7-4-14(5-8-21)23-11-10-22(9-6-19)18(24)13-23/h2-3,12,14H,4-11,13,20H2,1H3
InChIKeyAOWJZZHQJBKNKP-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.36
Rot. Bonds5

About 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one

4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one (PubChem CID 59452779) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one
PubChem CID59452779
Molecular FormulaC18H27FN4O2
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC Name4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one
SMILESCOc1cc(N2CCC(N3CCN(CCF)C(=O)C3)CC2)ccc1N
InChIInChI=1S/C18H27FN4O2/c1-25-17-12-15(2-3-16(17)20)21-7-4-14(5-8-21)23-11-10-22(9-6-19)18(24)13-23/h2-3,12,14H,4-11,13,20H2,1H3
InChIKeyAOWJZZHQJBKNKP-UHFFFAOYSA-N
XLogP1.36
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;tris(2,2,2-trifluoroacetic acid)
CID 86677522
2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
CID 57416151
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
CID 166656430
2-methoxy-4-[4-[4-(2-methylsulfonylethyl)piperidin-1-yl]piperidin-1-yl]aniline
CID 59452961
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol
CID 68752102
[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate
CID 175146069
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
CID 158570473
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one?
The IUPAC name of 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one (CID 59452779) is 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one.
What is the SMILES notation for 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one?
The canonical SMILES for 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one is COc1cc(N2CCC(N3CCN(CCF)C(=O)C3)CC2)ccc1N.
What is the InChIKey of 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one?
The InChIKey is AOWJZZHQJBKNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2/c1-25-17-12-15(2-3-16(17)20)21-7-4-14(5-8-21)23-11-10-22(9-6-19)18(24)13-23/h2-3,12,14H,4-11,13,20H2,1H3.
What are the key properties of 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one?
4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one has a molecular weight of 350.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one is sourced from PubChem (CID 59452779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).