[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

C20H29N3O4 — CID 51124620

IUPAC[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCOCCOc1ccccc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H29N3O4/c1-26-15-16-27-18-8-4-3-7-17(18)19(24)21-11-13-23(14-12-21)20(25)22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyANZXANRJQDURTH-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.08
Rot. Bonds5

About [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 51124620) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID51124620
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCOCCOc1ccccc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H29N3O4/c1-26-15-16-27-18-8-4-3-7-17(18)19(24)21-11-13-23(14-12-21)20(25)22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKeyANZXANRJQDURTH-UHFFFAOYSA-N
XLogP2.08
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793768
[4-(2-butoxybenzoyl)-1,4-diazepan-1-yl]-(2-butoxyphenyl)methanone
CID 4981271
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
CID 4947734
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119596410
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17357287
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[2-(2-methoxyethoxy)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55997456
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 4948823
3-[4-(2-ethoxybenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 71687197

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (CID 51124620) is [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is COCCOc1ccccc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ANZXANRJQDURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-15-16-27-18-8-4-3-7-17(18)19(24)21-11-13-23(14-12-21)20(25)22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-16H2,1H3.
What are the key properties of [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51124620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).