N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

C18H28N2O3 — CID 111974919

IUPACN-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-23-13-10-19-17(21)14-20-11-8-16(9-12-20)18(22)15-6-4-3-5-7-15/h3-7,16,18,22H,2,8-14H2,1H3,(H,19,21)
InChIKeyNGRONMYXAQBLIS-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.58
Rot. Bonds8

About N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (PubChem CID 111974919) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
PubChem CID111974919
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-23-13-10-19-17(21)14-20-11-8-16(9-12-20)18(22)15-6-4-3-5-7-15/h3-7,16,18,22H,2,8-14H2,1H3,(H,19,21)
InChIKeyNGRONMYXAQBLIS-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36668372
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51632258
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
CID 111109476
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 134038789
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177276720
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (CID 111974919) is N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is CCOCCNC(=O)CN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
The InChIKey is NGRONMYXAQBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-23-13-10-19-17(21)14-20-11-8-16(9-12-20)18(22)15-6-4-3-5-7-15/h3-7,16,18,22H,2,8-14H2,1H3,(H,19,21).
What are the key properties of N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?
N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 111974919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).