N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide

C21H25ClN2O4 — CID 7442422

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1
InChIInChI=1S/C21H25ClN2O4/c1-27-16-5-3-4-14(10-16)17-8-9-24(12-19(17)25)13-21(26)23-18-11-15(22)6-7-20(18)28-2/h3-7,10-11,17,19,25H,8-9,12-13H2,1-2H3,(H,23,26)/t17-,19+/m0/s1
InChIKeyDPVJLVOAQRPECM-PKOBYXMFSA-N
MW404.89 g/mol
LogP3.15
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide (PubChem CID 7442422) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
PubChem CID7442422
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1
InChIInChI=1S/C21H25ClN2O4/c1-27-16-5-3-4-14(10-16)17-8-9-24(12-19(17)25)13-21(26)23-18-11-15(22)6-7-20(18)28-2/h3-7,10-11,17,19,25H,8-9,12-13H2,1-2H3,(H,23,26)/t17-,19+/m0/s1
InChIKeyDPVJLVOAQRPECM-PKOBYXMFSA-N
XLogP3.15
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 119927614
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N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
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CID 2088175
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N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 60585239
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 120760615
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide (CID 7442422) is N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide is COc1cccc([C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
The InChIKey is DPVJLVOAQRPECM-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-27-16-5-3-4-14(10-16)17-8-9-24(12-19(17)25)13-21(26)23-18-11-15(22)6-7-20(18)28-2/h3-7,10-11,17,19,25H,8-9,12-13H2,1-2H3,(H,23,26)/t17-,19+/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide has a molecular weight of 404.89 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 7442422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).