3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

C20H26N4O4 — CID 72839965

IUPAC3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(C(=O)Cc3cnc[nH]3)CC2)c1
InChIInChI=1S/C20H26N4O4/c1-27-10-7-22-20(26)15-3-2-4-18(11-15)28-17-5-8-24(9-6-17)19(25)12-16-13-21-14-23-16/h2-4,11,13-14,17H,5-10,12H2,1H3,(H,21,23)(H,22,26)
InChIKeyGAQPYJIXDRZJAC-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.40
Rot. Bonds8

About 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (PubChem CID 72839965) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
PubChem CID72839965
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(C(=O)Cc3cnc[nH]3)CC2)c1
InChIInChI=1S/C20H26N4O4/c1-27-10-7-22-20(26)15-3-2-4-18(11-15)28-17-5-8-24(9-6-17)19(25)12-16-13-21-14-23-16/h2-4,11,13-14,17H,5-10,12H2,1H3,(H,21,23)(H,22,26)
InChIKeyGAQPYJIXDRZJAC-UHFFFAOYSA-N
XLogP1.40
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72935386
N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
CID 23723255
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 26330254
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42527160
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 25477439
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 138751647
3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 136522528
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
N-[2-(6-bicyclo[3.2.1]oct-2-enyl)ethyl]-3-[1-(4-oxopentanoyl)piperidin-4-yl]oxybenzamide
CID 142524296

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (CID 72839965) is 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(OC2CCN(C(=O)Cc3cnc[nH]3)CC2)c1.
What is the InChIKey of 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The InChIKey is GAQPYJIXDRZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-10-7-22-20(26)15-3-2-4-18(11-15)28-17-5-8-24(9-6-17)19(25)12-16-13-21-14-23-16/h2-4,11,13-14,17H,5-10,12H2,1H3,(H,21,23)(H,22,26).
What are the key properties of 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 72839965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).