(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone

C17H24ClNO4 — CID 97142593

IUPAC(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C17H24ClNO4/c1-22-9-7-17(12-20)6-3-8-19(11-17)16(21)14-10-13(18)4-5-15(14)23-2/h4-5,10,20H,3,6-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyIBHMVVOZSUQRGS-KRWDZBQOSA-N
MW341.83 g/mol
LogP2.60
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 97142593) has the molecular formula C17H24ClNO4 and a molecular weight of 341.83 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID97142593
Molecular FormulaC17H24ClNO4
Molecular Weight341.83 g/mol
Exact Mass341.14
IUPAC Name(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C17H24ClNO4/c1-22-9-7-17(12-20)6-3-8-19(11-17)16(21)14-10-13(18)4-5-15(14)23-2/h4-5,10,20H,3,6-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyIBHMVVOZSUQRGS-KRWDZBQOSA-N
XLogP2.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone 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-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97125477
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 70742601
(3R)-N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carboxamide
CID 97151417
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
CID 97142502
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138469
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97149583
(2,6-dimethylpyrimidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138865
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 97120712
2-(3,4-dimethylphenoxy)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 97130859
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 72925090
(5-chlorofuran-2-yl)-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97150459

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone (CID 97142593) is (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone is COCC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is IBHMVVOZSUQRGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-22-9-7-17(12-20)6-3-8-19(11-17)16(21)14-10-13(18)4-5-15(14)23-2/h4-5,10,20H,3,6-9,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 341.83 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97142593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).