2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide

C18H28N2O3 — CID 110905358

IUPAC2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide
SMILESCCOC(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-23-14(2)18(22)19-12-15-4-6-17(7-5-15)20-10-8-16(13-21)9-11-20/h4-7,14,16,21H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyJQYDVPGCUGKEGL-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.94
Rot. Bonds7

About 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide

2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide (PubChem CID 110905358) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide
PubChem CID110905358
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide
SMILESCCOC(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-23-14(2)18(22)19-12-15-4-6-17(7-5-15)20-10-8-16(13-21)9-11-20/h4-7,14,16,21H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyJQYDVPGCUGKEGL-UHFFFAOYSA-N
XLogP1.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
1-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-3-pentylurea
CID 110901067
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 110908399
1-(2-ethoxy-3-pyridinyl)-3-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]urea
CID 55820179
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]butane-1-sulfonamide
CID 56806564
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
CID 168753006
methyl 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]propanoylamino]methyl]benzoate
CID 60510128
cis-(1S,3R)-3-hydroxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]cyclohexane-1-carboxamide
CID 99789288
(2S)-2-[4-[4-(hydroxymethyl)piperidin-1-yl]anilino]propanoic acid
CID 67550722
[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide?
The IUPAC name of 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide (CID 110905358) is 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide?
The canonical SMILES for 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide is CCOC(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1.
What is the InChIKey of 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide?
The InChIKey is JQYDVPGCUGKEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-23-14(2)18(22)19-12-15-4-6-17(7-5-15)20-10-8-16(13-21)9-11-20/h4-7,14,16,21H,3,8-13H2,1-2H3,(H,19,22).
What are the key properties of 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide?
2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide has a molecular weight of 320.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 110905358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).