N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide

C18H28N4O2 — CID 14763453

IUPACN-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c23-18(19-7-4-8-20-13-15-24-16-14-20)22-11-9-21(10-12-22)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,19,23)
InChIKeySTBWHUWHLCJMHD-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.24
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide

N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 14763453) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
PubChem CID14763453
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c23-18(19-7-4-8-20-13-15-24-16-14-20)22-11-9-21(10-12-22)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,19,23)
InChIKeySTBWHUWHLCJMHD-UHFFFAOYSA-N
XLogP1.24
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
CID 75379101
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961770
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
4-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106095
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide (CID 14763453) is N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide is O=C(NCCCN1CCOCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is STBWHUWHLCJMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18(19-7-4-8-20-13-15-24-16-14-20)22-11-9-21(10-12-22)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,19,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 14763453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).