N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide

C22H35N3O3 — CID 51593135

IUPACN-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@@H](O)CN2CCC(N3CCC(C)CC3)CC2)cc1NC(C)=O
InChIInChI=1S/C22H35N3O3/c1-16-6-12-25(13-7-16)19-8-10-24(11-9-19)15-21(27)18-4-5-22(28-3)20(14-18)23-17(2)26/h4-5,14,16,19,21,27H,6-13,15H2,1-3H3,(H,23,26)/t21-/m0/s1
InChIKeyLPKQWLIJIUIFGD-NRFANRHFSA-N
MW389.54 g/mol
LogP2.88
Rot. Bonds6

About N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide

N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide (PubChem CID 51593135) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide
PubChem CID51593135
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@@H](O)CN2CCC(N3CCC(C)CC3)CC2)cc1NC(C)=O
InChIInChI=1S/C22H35N3O3/c1-16-6-12-25(13-7-16)19-8-10-24(11-9-19)15-21(27)18-4-5-22(28-3)20(14-18)23-17(2)26/h4-5,14,16,19,21,27H,6-13,15H2,1-3H3,(H,23,26)/t21-/m0/s1
InChIKeyLPKQWLIJIUIFGD-NRFANRHFSA-N
XLogP2.88
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-hydroxy-2-(4-methylpiperidin-1-yl)ethyl]phenyl]acetamide
CID 82216344
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide
CID 154379633
N-[5-[(1R)-2-[(4R)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide
CID 92550566
N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide
CID 92550569
N-[5-[(1S)-1-hydroxy-2-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
CID 124797543
N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
CID 51593533
N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide
CID 46968060
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
2-(1-cyclopropylpiperidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754837
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55831351

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide (CID 51593135) is N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide is COc1ccc([C@@H](O)CN2CCC(N3CCC(C)CC3)CC2)cc1NC(C)=O.
What is the InChIKey of N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide?
The InChIKey is LPKQWLIJIUIFGD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16-6-12-25(13-7-16)19-8-10-24(11-9-19)15-21(27)18-4-5-22(28-3)20(14-18)23-17(2)26/h4-5,14,16,19,21,27H,6-13,15H2,1-3H3,(H,23,26)/t21-/m0/s1.
What are the key properties of N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide?
N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 51593135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).