1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one

C18H27ClN2O3 — CID 67740846

IUPAC1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one
SMILESCOCCN1CCC(CC(=O)Cc2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C18H27ClN2O3/c1-23-8-7-21-5-3-13(4-6-21)9-15(22)10-14-11-16(19)17(20)12-18(14)24-2/h11-13H,3-10,20H2,1-2H3
InChIKeyJUTMVBVUIAOSBM-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.79
Rot. Bonds8

About 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one

1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one (PubChem CID 67740846) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one
PubChem CID67740846
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one
SMILESCOCCN1CCC(CC(=O)Cc2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C18H27ClN2O3/c1-23-8-7-21-5-3-13(4-6-21)9-15(22)10-14-11-16(19)17(20)12-18(14)24-2/h11-13H,3-10,20H2,1-2H3
InChIKeyJUTMVBVUIAOSBM-UHFFFAOYSA-N
XLogP2.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.79
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

1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-methylpiperidin-4-yl)propan-2-one
CID 67740825
4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine
CID 67740662
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-amino-2-methylsulfonylethyl)piperidin-4-yl]propan-2-one
CID 57001896
1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one
CID 67741085
2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 42625406
2-[4-[(2-methylpropanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 42625575
CID 59280146
CID 59280146
1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidine-4-carboxylic acid
CID 11696133
4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786696
2-[4-[[(2-fluorobenzoyl)amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 42625656
4-amino-5-chloro-N-[1-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786710
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one?
The IUPAC name of 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one (CID 67740846) is 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one is COCCN1CCC(CC(=O)Cc2cc(Cl)c(N)cc2OC)CC1.
What is the InChIKey of 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one?
The InChIKey is JUTMVBVUIAOSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-23-8-7-21-5-3-13(4-6-21)9-15(22)10-14-11-16(19)17(20)12-18(14)24-2/h11-13H,3-10,20H2,1-2H3.
What are the key properties of 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one?
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one has a molecular weight of 354.88 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one is sourced from PubChem (CID 67740846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).