N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide

C15H23N3O2 — CID 47128071

IUPACN-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-20-13-5-8-16-15(19)18-11-9-17(10-12-18)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,16,19)
InChIKeyWOXWZVRWFTWQJP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds5

About N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide

N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 47128071) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
PubChem CID47128071
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-20-13-5-8-16-15(19)18-11-9-17(10-12-18)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,16,19)
InChIKeyWOXWZVRWFTWQJP-UHFFFAOYSA-N
XLogP1.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
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-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(4-bromo-3-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105384
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide
CID 51261324
1-ethyl-3-(3-methoxypropyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 110974660
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35688690

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide (CID 47128071) is N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide is COCCCNC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is WOXWZVRWFTWQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-5-8-16-15(19)18-11-9-17(10-12-18)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,16,19).
What are the key properties of N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide?
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 47128071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).