N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide

C23H29N3O3 — CID 110348003

IUPACN-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
SMILESC[C@H](NC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-19(24-22(27)13-8-18-29-21-11-6-3-7-12-21)23(28)26-16-14-25(15-17-26)20-9-4-2-5-10-20/h2-7,9-12,19H,8,13-18H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeySERXYUAGFXYDEJ-IBGZPJMESA-N
MW395.50 g/mol
LogP2.70
Rot. Bonds8

About N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide

N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide (PubChem CID 110348003) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
PubChem CID110348003
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
SMILESC[C@H](NC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-19(24-22(27)13-8-18-29-21-11-6-3-7-12-21)23(28)26-16-14-25(15-17-26)20-9-4-2-5-10-20/h2-7,9-12,19H,8,13-18H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeySERXYUAGFXYDEJ-IBGZPJMESA-N
XLogP2.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.70
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

N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
CID 110348001
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 7774557
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
2-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 110347997
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
CID 110287024
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
2-(4-ethoxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17449282
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 53367705

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide?
The IUPAC name of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide (CID 110348003) is N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide is C[C@H](NC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide?
The InChIKey is SERXYUAGFXYDEJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N3O3/c1-19(24-22(27)13-8-18-29-21-11-6-3-7-12-21)23(28)26-16-14-25(15-17-26)20-9-4-2-5-10-20/h2-7,9-12,19H,8,13-18H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide?
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide has a molecular weight of 395.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide is sourced from PubChem (CID 110348003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).