N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide

C17H27N3O4 — CID 113105238

IUPACN-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H27N3O4/c1-22-12-4-7-19-8-10-20(11-9-19)17(21)18-15-13-14(23-2)5-6-16(15)24-3/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyFHLIFAIMQMIGPC-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.89
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide

N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 113105238) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID113105238
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H27N3O4/c1-22-12-4-7-19-8-10-20(11-9-19)17(21)18-15-13-14(23-2)5-6-16(15)24-3/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyFHLIFAIMQMIGPC-UHFFFAOYSA-N
XLogP1.89
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436
N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 72912569
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182581

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide (CID 113105238) is N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide is COCCCN1CCN(C(=O)Nc2cc(OC)ccc2OC)CC1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is FHLIFAIMQMIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-22-12-4-7-19-8-10-20(11-9-19)17(21)18-15-13-14(23-2)5-6-16(15)24-3/h5-6,13H,4,7-12H2,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).