4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid

C15H21N3O3 — CID 61183899

IUPAC4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(20)7-4-8-16-15(21)18-11-9-17(10-12-18)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,21)(H,19,20)
InChIKeyRVDXNLZFCRYVOV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.38
Rot. Bonds5

About 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid

4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 61183899) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
PubChem CID61183899
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(20)7-4-8-16-15(21)18-11-9-17(10-12-18)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,21)(H,19,20)
InChIKeyRVDXNLZFCRYVOV-UHFFFAOYSA-N
XLogP1.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
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-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
4-[(4-thiophen-2-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122022218
4-[[4-(2-fluorophenyl)-1,4-diazepane-1-carbonyl]amino]butanoic acid
CID 122022378
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
CID 122560798
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
4-[[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021566

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid (CID 61183899) is 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is RVDXNLZFCRYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)7-4-8-16-15(21)18-11-9-17(10-12-18)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,21)(H,19,20).
What are the key properties of 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid?
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61183899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).