[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate

C20H24N4O3 — CID 58387062

IUPAC[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate
SMILESNC(=O)O[C@H](CC(=O)N1CCN(c2ccc(N)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c21-16-6-8-17(9-7-16)23-10-12-24(13-11-23)19(25)14-18(27-20(22)26)15-4-2-1-3-5-15/h1-9,18H,10-14,21H2,(H2,22,26)/t18-/m1/s1
InChIKeySUWHRRPCWYTARF-GOSISDBHSA-N
MW368.44 g/mol
LogP2.14
Rot. Bonds5

About [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate

[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate (PubChem CID 58387062) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate
PubChem CID58387062
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate
SMILESNC(=O)O[C@H](CC(=O)N1CCN(c2ccc(N)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c21-16-6-8-17(9-7-16)23-10-12-24(13-11-23)19(25)14-18(27-20(22)26)15-4-2-1-3-5-15/h1-9,18H,10-14,21H2,(H2,22,26)/t18-/m1/s1
InChIKeySUWHRRPCWYTARF-GOSISDBHSA-N
XLogP2.14
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one
CID 142761962
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
[1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl] carboniodidate
CID 162555417
4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
CID 113081045
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 55919041
[4-[4-(3-carbamoyloxy-3-cyclohexa-1,5-dien-1-ylpropanoyl)piperazin-1-yl]phenyl] acetate
CID 163558984
3-(2-nitrophenyl)-3-[1-(2-nitrophenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propoxy]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 142761933
1-[4-(4-aminophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43461583
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-(4-aminophenyl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119860765

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate?
The IUPAC name of [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate (CID 58387062) is [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate.
What is the SMILES notation for [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate?
The canonical SMILES for [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate is NC(=O)O[C@H](CC(=O)N1CCN(c2ccc(N)cc2)CC1)c1ccccc1.
What is the InChIKey of [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate?
The InChIKey is SUWHRRPCWYTARF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-16-6-8-17(9-7-16)23-10-12-24(13-11-23)19(25)14-18(27-20(22)26)15-4-2-1-3-5-15/h1-9,18H,10-14,21H2,(H2,22,26)/t18-/m1/s1.
What are the key properties of [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate?
[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate has a molecular weight of 368.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate is sourced from PubChem (CID 58387062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).