N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide

C17H27N3O2 — CID 119073232

IUPACN-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
SMILESCCCOCCN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-13-22-14-12-19-8-10-20(11-9-19)17(21)18-15-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,18,21)
InChIKeyNCYBAOIJHLUNMY-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.94
Rot. Bonds7

About N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide

N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide (PubChem CID 119073232) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
PubChem CID119073232
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
SMILESCCCOCCN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-2-13-22-14-12-19-8-10-20(11-9-19)17(21)18-15-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,18,21)
InChIKeyNCYBAOIJHLUNMY-UHFFFAOYSA-N
XLogP1.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 119058857
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 52543296
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
N-benzyl-4-butanoyl-1,4-diazepane-1-carboxamide
CID 110811324
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
CID 119066622
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide (CID 119073232) is N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide is CCCOCCN1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide?
The InChIKey is NCYBAOIJHLUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-13-22-14-12-19-8-10-20(11-9-19)17(21)18-15-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,18,21).
What are the key properties of N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide?
N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 119073232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).