[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C18H29N3O2 — CID 84587791

IUPAC[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCCOCCC1(C(=O)N2CCCC(c3ncc[nH]3)C2)CCCC1
InChIInChI=1S/C18H29N3O2/c1-2-23-13-9-18(7-3-4-8-18)17(22)21-12-5-6-15(14-21)16-19-10-11-20-16/h10-11,15H,2-9,12-14H2,1H3,(H,19,20)
InChIKeyIZLFBVFWSUDGMX-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.10
Rot. Bonds6

About [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 84587791) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID84587791
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCCOCCC1(C(=O)N2CCCC(c3ncc[nH]3)C2)CCCC1
InChIInChI=1S/C18H29N3O2/c1-2-23-13-9-18(7-3-4-8-18)17(22)21-12-5-6-15(14-21)16-19-10-11-20-16/h10-11,15H,2-9,12-14H2,1H3,(H,19,20)
InChIKeyIZLFBVFWSUDGMX-UHFFFAOYSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidine
CID 70735836
methyl 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylate
CID 75499270
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126832130
4-(1H-imidazol-2-yl)-1-{[1-(methoxymethyl)cyclobutyl]carbonyl}piperidine
CID 74243551
1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidin-1-yl]-11-(1H-imidazol-2-yl)undecan-1-one
CID 19965473
(2R,3S)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 161814500
cyclohexylmethanol;1-[4-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 164604544
3-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 42194150
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 63929941
N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide
CID 63930583
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide
CID 63939449
N-(1H-imidazol-2-ylmethyl)oxane-4-carboxamide
CID 64178698

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 84587791) is [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is CCOCCC1(C(=O)N2CCCC(c3ncc[nH]3)C2)CCCC1.
What is the InChIKey of [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IZLFBVFWSUDGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-23-13-9-18(7-3-4-8-18)17(22)21-12-5-6-15(14-21)16-19-10-11-20-16/h10-11,15H,2-9,12-14H2,1H3,(H,19,20).
What are the key properties of [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 84587791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).