4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C17H27N3O3 — CID 119058857

IUPAC4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(CCOCCO)CC2)c1
InChIInChI=1S/C17H27N3O3/c1-15-3-2-4-16(13-15)14-18-17(22)20-7-5-19(6-8-20)9-11-23-12-10-21/h2-4,13,21H,5-12,14H2,1H3,(H,18,22)
InChIKeyNSLMZPLQIKXKCH-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.83
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 119058857) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID119058857
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(CCOCCO)CC2)c1
InChIInChI=1S/C17H27N3O3/c1-15-3-2-4-16(13-15)14-18-17(22)20-7-5-19(6-8-20)9-11-23-12-10-21/h2-4,13,21H,5-12,14H2,1H3,(H,18,22)
InChIKeyNSLMZPLQIKXKCH-UHFFFAOYSA-N
XLogP0.83
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119063808
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
CID 119073232
4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 87003706
4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
CID 119066622
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341
N-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 119060918
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 119058857) is 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is Cc1cccc(CNC(=O)N2CCN(CCOCCO)CC2)c1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is NSLMZPLQIKXKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-15-3-2-4-16(13-15)14-18-17(22)20-7-5-19(6-8-20)9-11-23-12-10-21/h2-4,13,21H,5-12,14H2,1H3,(H,18,22).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 119058857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).