N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide

C22H28N2O2 — CID 18678194

IUPACN-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18(25)23-21-11-13-24(14-12-21)15-16-26-22-9-7-20(8-10-22)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,23,25)
InChIKeyNRPQWVBQYHJTFW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.26
Rot. Bonds7

About N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide

N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide (PubChem CID 18678194) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide
PubChem CID18678194
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18(25)23-21-11-13-24(14-12-21)15-16-26-22-9-7-20(8-10-22)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,23,25)
InChIKeyNRPQWVBQYHJTFW-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benproperine
CID 2326
Bms 186318
CID 65024
4-Morpholineacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071637
12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(2-oxo-2-(1-piperidinyl)ethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
CID 463291
(2r)-2-[(4-Benzylphenoxy)methyl]pyrrolidine
CID 16222640
2-((trans-2-(4-(Benzyloxy)phenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)ethanone
CID 45376076
(R/S)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888070
(R)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888101
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone
CID 60149007
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
N-cyclohexyl-3-(4-ethoxyphenyl)acrylamide
CID 797113

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide (CID 18678194) is N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
The InChIKey is NRPQWVBQYHJTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18(25)23-21-11-13-24(14-12-21)15-16-26-22-9-7-20(8-10-22)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,23,25).
What are the key properties of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 18678194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).