N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide

C24H30N2O5 — CID 42190525

IUPACN-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O5/c1-25(16-22(27)18-6-4-3-5-7-18)24(29)19-8-10-20(11-9-19)31-21-12-14-26(15-13-21)23(28)17-30-2/h3-11,21-22,27H,12-17H2,1-2H3/t22-/m1/s1
InChIKeyNIYOTAFSPMCACR-JOCHJYFZSA-N
MW426.51 g/mol
LogP2.51
Rot. Bonds8

About N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide

N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide (PubChem CID 42190525) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide
PubChem CID42190525
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O5/c1-25(16-22(27)18-6-4-3-5-7-18)24(29)19-8-10-20(11-9-19)31-21-12-14-26(15-13-21)23(28)17-30-2/h3-11,21-22,27H,12-17H2,1-2H3/t22-/m1/s1
InChIKeyNIYOTAFSPMCACR-JOCHJYFZSA-N
XLogP2.51
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
CID 24817343
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
CID 42556868
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 97284497
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45180353
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 25280317
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide (CID 42190525) is N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide is COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide?
The InChIKey is NIYOTAFSPMCACR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-25(16-22(27)18-6-4-3-5-7-18)24(29)19-8-10-20(11-9-19)31-21-12-14-26(15-13-21)23(28)17-30-2/h3-11,21-22,27H,12-17H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide?
N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide has a molecular weight of 426.51 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide is sourced from PubChem (CID 42190525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).