butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate

C19H28N2O4 — CID 108569114

IUPACbutyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-2-3-15-25-19(23)21-13-11-20(12-14-21)18(22)10-7-16-24-17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3
InChIKeyBYDGUIRPDSSCQJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.93
Rot. Bonds8

About butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate

butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate (PubChem CID 108569114) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
PubChem CID108569114
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebutyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-2-3-15-25-19(23)21-13-11-20(12-14-21)18(22)10-7-16-24-17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3
InChIKeyBYDGUIRPDSSCQJ-UHFFFAOYSA-N
XLogP2.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.93
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

2-chloroethyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
CID 108569116
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536249
3-methyl-1-[4-(4-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 110800810
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
ethyl [4-[4-(4-phenoxybutanoyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533307
ethyl 4-[4-(2-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569168
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
butyl aziridine-1-carboxylate
CID 12641
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-4-phenoxybutan-1-one
CID 110810028
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95348965

Frequently Asked Questions

What is the IUPAC name of butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate?
The IUPAC name of butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate (CID 108569114) is butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate.
What is the SMILES notation for butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate?
The canonical SMILES for butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate is CCCCOC(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate?
The InChIKey is BYDGUIRPDSSCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-3-15-25-19(23)21-13-11-20(12-14-21)18(22)10-7-16-24-17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3.
What are the key properties of butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate?
butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108569114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).