N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide

C22H26N2O3 — CID 70786735

IUPACN-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H26N2O3/c1-16(25)23-13-12-20-7-2-3-14-24(20)22(27)19-6-4-5-18(15-19)17-8-10-21(26)11-9-17/h4-6,8-11,15,20,26H,2-3,7,12-14H2,1H3,(H,23,25)
InChIKeyIFICFSMBVHTFCE-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.58
Rot. Bonds5

About N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 70786735) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
PubChem CID70786735
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H26N2O3/c1-16(25)23-13-12-20-7-2-3-14-24(20)22(27)19-6-4-5-18(15-19)17-8-10-21(26)11-9-17/h4-6,8-11,15,20,26H,2-3,7,12-14H2,1H3,(H,23,25)
InChIKeyIFICFSMBVHTFCE-UHFFFAOYSA-N
XLogP3.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70738477
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
CID 146357901
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide
CID 126437358
(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 95728140
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
CID 136546901
[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide (CID 70786735) is N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is IFICFSMBVHTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(25)23-13-12-20-7-2-3-14-24(20)22(27)19-6-4-5-18(15-19)17-8-10-21(26)11-9-17/h4-6,8-11,15,20,26H,2-3,7,12-14H2,1H3,(H,23,25).
What are the key properties of N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70786735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).