N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide

C21H26N2O2 — CID 99928855

IUPACN-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NCCOCc1ccccc1)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H26N2O2/c24-21(23-13-14-25-16-17-5-2-1-3-6-17)19-10-8-18(9-11-19)20-7-4-12-22-15-20/h1-3,5-6,8-11,20,22H,4,7,12-16H2,(H,23,24)/t20-/m1/s1
InChIKeyMCEFMQCUCBPCJJ-HXUWFJFHSA-N
MW338.45 g/mol
LogP3.10
Rot. Bonds7

About N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide

N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide (PubChem CID 99928855) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
PubChem CID99928855
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NCCOCc1ccccc1)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C21H26N2O2/c24-21(23-13-14-25-16-17-5-2-1-3-6-17)19-10-8-18(9-11-19)20-7-4-12-22-15-20/h1-3,5-6,8-11,20,22H,4,7,12-16H2,(H,23,24)/t20-/m1/s1
InChIKeyMCEFMQCUCBPCJJ-HXUWFJFHSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 72846881
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide (CID 99928855) is N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide is O=C(NCCOCc1ccccc1)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is MCEFMQCUCBPCJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(23-13-14-25-16-17-5-2-1-3-6-17)19-10-8-18(9-11-19)20-7-4-12-22-15-20/h1-3,5-6,8-11,20,22H,4,7,12-16H2,(H,23,24)/t20-/m1/s1.
What are the key properties of N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide?
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 99928855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).