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

C21H27N3O3 — CID 25120700

IUPAC[(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCOc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-7-18(8-10-19)24-15-13-23(14-16-24)12-11-20(27-21(22)25)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,22,25)/t20-/m1/s1
InChIKeyMYJQZBNYMUUXQI-HXUWFJFHSA-N
MW369.47 g/mol
LogP3.04
Rot. Bonds7

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

[(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (PubChem CID 25120700) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
PubChem CID25120700
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESCOc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-7-18(8-10-19)24-15-13-23(14-16-24)12-11-20(27-21(22)25)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,22,25)/t20-/m1/s1
InChIKeyMYJQZBNYMUUXQI-HXUWFJFHSA-N
XLogP3.04
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The IUPAC name of [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (CID 25120700) is [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.
What is the SMILES notation for [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The canonical SMILES for [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The InChIKey is MYJQZBNYMUUXQI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-9-7-18(8-10-19)24-15-13-23(14-16-24)12-11-20(27-21(22)25)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,22,25)/t20-/m1/s1.
What are the key properties of [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
[(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate has a molecular weight of 369.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is sourced from PubChem (CID 25120700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).