[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone

C15H22N2O3 — CID 119401946

IUPAC[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone
SMILESCOCCCOc1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-11-2-12-20-14-5-3-13(4-6-14)15(18)17-9-7-16-8-10-17/h3-6,16H,2,7-12H2,1H3
InChIKeyRCSDQFSXFLQIQC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.15
Rot. Bonds6

About [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone

[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone (PubChem CID 119401946) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone
PubChem CID119401946
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone
SMILESCOCCCOc1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-11-2-12-20-14-5-3-13(4-6-14)15(18)17-9-7-16-8-10-17/h3-6,16H,2,7-12H2,1H3
InChIKeyRCSDQFSXFLQIQC-UHFFFAOYSA-N
XLogP1.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(3-methoxypropoxy)phenyl]methanone
CID 120656604
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793764
1-[4-(3-methoxypropoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118061
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 143435161
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone (CID 119401946) is [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone is COCCCOc1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone?
The InChIKey is RCSDQFSXFLQIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-2-12-20-14-5-3-13(4-6-14)15(18)17-9-7-16-8-10-17/h3-6,16H,2,7-12H2,1H3.
What are the key properties of [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone?
[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone has a molecular weight of 278.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119401946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).