N-butyl-4-phenylpiperazine-1-carboxamide

C15H23N3O — CID 3547607

IUPACN-butyl-4-phenylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-3-9-16-15(19)18-12-10-17(11-13-18)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,16,19)
InChIKeyGCTNXHHXMGKOGO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.32
Rot. Bonds4

About N-butyl-4-phenylpiperazine-1-carboxamide

N-butyl-4-phenylpiperazine-1-carboxamide (PubChem CID 3547607) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-butyl-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-phenylpiperazine-1-carboxamide
PubChem CID3547607
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-butyl-4-phenylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-3-9-16-15(19)18-12-10-17(11-13-18)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,16,19)
InChIKeyGCTNXHHXMGKOGO-UHFFFAOYSA-N
XLogP2.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909
N-butylaziridine-1-carboxamide
CID 55206947
2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108964842
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-butyl-4-phenylpiperazine-1-carboxamide (CID 3547607) is N-butyl-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-phenylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-butyl-4-phenylpiperazine-1-carboxamide?
The InChIKey is GCTNXHHXMGKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-9-16-15(19)18-12-10-17(11-13-18)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,16,19).
What are the key properties of N-butyl-4-phenylpiperazine-1-carboxamide?
N-butyl-4-phenylpiperazine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 3547607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).