N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide

C22H30N4O3 — CID 7162621

IUPACN-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESCCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3/c1-2-3-11-23-21(27)22(28)24-17-19(20-10-7-16-29-20)26-14-12-25(13-15-26)18-8-5-4-6-9-18/h4-10,16,19H,2-3,11-15,17H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyYPBPACFLDXEYKY-LJQANCHMSA-N
MW398.51 g/mol
LogP2.18
Rot. Bonds8

About N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide

N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide (PubChem CID 7162621) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
PubChem CID7162621
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESCCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3/c1-2-3-11-23-21(27)22(28)24-17-19(20-10-7-16-29-20)26-14-12-25(13-15-26)18-8-5-4-6-9-18/h4-10,16,19H,2-3,11-15,17H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyYPBPACFLDXEYKY-LJQANCHMSA-N
XLogP2.18
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 7163023
N-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
CID 41234280
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 7162743
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 7162699
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310
N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 16809755
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 41234650
N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 16809801
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-hydroxyethyl)oxamide
CID 7163027

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide (CID 7162621) is N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide is CCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is YPBPACFLDXEYKY-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-2-3-11-23-21(27)22(28)24-17-19(20-10-7-16-29-20)26-14-12-25(13-15-26)18-8-5-4-6-9-18/h4-10,16,19H,2-3,11-15,17H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 398.51 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 7162621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).