(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

C15H19Cl2NO3 — CID 97221393

IUPAC(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1
InChIInChI=1S/C15H19Cl2NO3/c1-20-9-10-4-3-5-18(8-10)15(19)11-6-12(16)13(17)7-14(11)21-2/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyJWUGCDNCVXBEIL-JTQLQIEISA-N
MW332.23 g/mol
LogP3.50
Rot. Bonds4

About (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 97221393) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID97221393
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1
InChIInChI=1S/C15H19Cl2NO3/c1-20-9-10-4-3-5-18(8-10)15(19)11-6-12(16)13(17)7-14(11)21-2/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyJWUGCDNCVXBEIL-JTQLQIEISA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide;hydrochloride
CID 119746035
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875833
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 119761665
(4-amino-5-chloro-2-methoxyphenyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867680
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 97221393) is (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is COC[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1.
What is the InChIKey of (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is JWUGCDNCVXBEIL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-20-9-10-4-3-5-18(8-10)15(19)11-6-12(16)13(17)7-14(11)21-2/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 332.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97221393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).