N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide

C17H27N3O2 — CID 127565527

IUPACN-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-22-13-5-8-18-17(21)20-11-9-19(10-12-20)16-7-4-6-15(2)14-16/h4,6-7,14H,3,5,8-13H2,1-2H3,(H,18,21)
InChIKeyMCILWSVJHLYHGY-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.25
Rot. Bonds6

About N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide

N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 127565527) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID127565527
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-22-13-5-8-18-17(21)20-11-9-19(10-12-20)16-7-4-6-15(2)14-16/h4,6-7,14H,3,5,8-13H2,1-2H3,(H,18,21)
InChIKeyMCILWSVJHLYHGY-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.25
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-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
1-(4-ethoxybutyl)-2-methyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 111944316
4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide
CID 108874685
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
1-(2-ethoxyethyl)-2-methyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 111895104
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide (CID 127565527) is N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide is CCOCCCNC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MCILWSVJHLYHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-22-13-5-8-18-17(21)20-11-9-19(10-12-20)16-7-4-6-15(2)14-16/h4,6-7,14H,3,5,8-13H2,1-2H3,(H,18,21).
What are the key properties of N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 127565527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).