N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide

C22H26N2O3 — CID 95415351

IUPACN-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C22H26N2O3/c1-17(25)23-13-15-24-14-5-6-19(16-24)22(26)18-9-11-21(12-10-18)27-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyGSKUDWPBAKWROH-LJQANCHMSA-N
MW366.46 g/mol
LogP3.51
Rot. Bonds7

About N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide

N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 95415351) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
PubChem CID95415351
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C22H26N2O3/c1-17(25)23-13-15-24-14-5-6-19(16-24)22(26)18-9-11-21(12-10-18)27-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyGSKUDWPBAKWROH-LJQANCHMSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
CID 56868361
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide (CID 95415351) is N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is GSKUDWPBAKWROH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(25)23-13-15-24-14-5-6-19(16-24)22(26)18-9-11-21(12-10-18)27-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide?
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 95415351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).