2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

C26H31ClN2O3 — CID 46454463

IUPAC2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C26H31ClN2O3/c27-23-17-21(19-7-3-1-4-8-19)11-12-24(23)32-18-25(30)28-22-13-15-29(16-14-22)26(31)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,22H,2,5-6,9-10,13-16,18H2,(H,28,30)
InChIKeyMFAVSXPZYXXHCZ-UHFFFAOYSA-N
MW455.00 g/mol
LogP5.07
Rot. Bonds6

About 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (PubChem CID 46454463) has the molecular formula C26H31ClN2O3 and a molecular weight of 455.00 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
PubChem CID46454463
Molecular FormulaC26H31ClN2O3
Molecular Weight455.00 g/mol
Exact Mass454.20
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C26H31ClN2O3/c27-23-17-21(19-7-3-1-4-8-19)11-12-24(23)32-18-25(30)28-22-13-15-29(16-14-22)26(31)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,22H,2,5-6,9-10,13-16,18H2,(H,28,30)
InChIKeyMFAVSXPZYXXHCZ-UHFFFAOYSA-N
XLogP5.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.00
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 17436000
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700417
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7949295
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119178255
2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645425
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546814

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (CID 46454463) is 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is O=C(COc1ccc(-c2ccccc2)cc1Cl)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The InChIKey is MFAVSXPZYXXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O3/c27-23-17-21(19-7-3-1-4-8-19)11-12-24(23)32-18-25(30)28-22-13-15-29(16-14-22)26(31)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,22H,2,5-6,9-10,13-16,18H2,(H,28,30).
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide has a molecular weight of 455.00 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46454463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).