N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide

C27H29N3O2 — CID 143452958

IUPACN-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(N2CCN(C(C=O)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-21(22-8-4-2-5-9-22)27(32)28-24-12-14-25(15-13-24)29-16-18-30(19-17-29)26(20-31)23-10-6-3-7-11-23/h2-15,20-21,26H,16-19H2,1H3,(H,28,32)
InChIKeyMQCSAYFIBMTFNB-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.49
Rot. Bonds7

About N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide

N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide (PubChem CID 143452958) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide
PubChem CID143452958
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(N2CCN(C(C=O)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-21(22-8-4-2-5-9-22)27(32)28-24-12-14-25(15-13-24)29-16-18-30(19-17-29)26(20-31)23-10-6-3-7-11-23/h2-15,20-21,26H,16-19H2,1H3,(H,28,32)
InChIKeyMQCSAYFIBMTFNB-UHFFFAOYSA-N
XLogP4.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113107336
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide
CID 110406324
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid
CID 69324155
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
CID 39911400
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 30857945
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide?
The IUPAC name of N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide (CID 143452958) is N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide.
What is the SMILES notation for N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide?
The canonical SMILES for N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide is CC(C(=O)Nc1ccc(N2CCN(C(C=O)c3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide?
The InChIKey is MQCSAYFIBMTFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-21(22-8-4-2-5-9-22)27(32)28-24-12-14-25(15-13-24)29-16-18-30(19-17-29)26(20-31)23-10-6-3-7-11-23/h2-15,20-21,26H,16-19H2,1H3,(H,28,32).
What are the key properties of N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide?
N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide has a molecular weight of 427.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-oxo-1-phenylethyl)piperazin-1-yl]phenyl]-2-phenylpropanamide is sourced from PubChem (CID 143452958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).