2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide

C27H27ClN2O4 — CID 155968088

IUPAC2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccc(OCc2ccc(Cl)cc2)cc1)Nc1cccc(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C27H27ClN2O4/c28-22-10-6-20(7-11-22)18-34-25-12-8-19(9-13-25)15-26(32)29-23-4-1-3-21(16-23)27(33)30-14-2-5-24(31)17-30/h1,3-4,6-13,16,24,31H,2,5,14-15,17-18H2,(H,29,32)
InChIKeyADLDQFYKYCDVKY-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.70
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide

2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 155968088) has the molecular formula C27H27ClN2O4 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide
PubChem CID155968088
Molecular FormulaC27H27ClN2O4
Molecular Weight478.98 g/mol
Exact Mass478.17
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccc(OCc2ccc(Cl)cc2)cc1)Nc1cccc(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C27H27ClN2O4/c28-22-10-6-20(7-11-22)18-34-25-12-8-19(9-13-25)15-26(32)29-23-4-1-3-21(16-23)27(33)30-14-2-5-24(31)17-30/h1,3-4,6-13,16,24,31H,2,5,14-15,17-18H2,(H,29,32)
InChIKeyADLDQFYKYCDVKY-UHFFFAOYSA-N
XLogP4.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide
CID 97260298
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
CID 52513679
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
2-(4-chlorophenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 26162077
4-[(4-chlorophenyl)methoxy]-N-[3-(2-hydroxyacetyl)phenyl]benzamide
CID 23354553
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006523
2-[[3-(3-hydroxypiperidine-1-carbonyl)phenoxy]methyl]benzonitrile
CID 110903789
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide (CID 155968088) is 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide is O=C(Cc1ccc(OCc2ccc(Cl)cc2)cc1)Nc1cccc(C(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is ADLDQFYKYCDVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O4/c28-22-10-6-20(7-11-22)18-34-25-12-8-19(9-13-25)15-26(32)29-23-4-1-3-21(16-23)27(33)30-14-2-5-24(31)17-30/h1,3-4,6-13,16,24,31H,2,5,14-15,17-18H2,(H,29,32).
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide?
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 478.98 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 155968088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).