phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate

C23H23N3O3 — CID 1317528

IUPACphenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1
InChIInChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)
InChIKeyIKRKMYDCUZYKHX-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.33
Rot. Bonds4

About phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate

phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate (PubChem CID 1317528) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
PubChem CID1317528
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namephenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1
InChIInChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)
InChIKeyIKRKMYDCUZYKHX-UHFFFAOYSA-N
XLogP4.33
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxyphenyl)-2-(4-phenyl-1-piperazinyl)acetamide
CID 975074
N-(4-phenoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2940986
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
4-{4-[4-(4-Methoxyphenyl)-1-piperazinyl]anilino}-4-oxo-2-butenoic acid
CID 1820257
N-[4-(Diethylamino)phenyl]-2-(4-{[(4-methoxyphenyl)carbamoyl]methyl}piperazin-1-YL)acetamide
CID 20970559
Phenyl [4-(dimethylamino)phenyl]carbamate
CID 895662
N-(4-Methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892039
p-Aminophenyl p-hydroxycarbanilate
CID 254722
4-(Acetylamino)phenyl methyl(phenyl)carbamate
CID 2929611
N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-phenyl} carbamic acid ethyl ester
CID 42629362
2-piperidinophenyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2732845
Piperidine-1-carboxylic acid 4-acetylamino-phenyl ester
CID 646724

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate (CID 1317528) is phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate is O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate?
The InChIKey is IKRKMYDCUZYKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28).
What are the key properties of phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate?
phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate has a molecular weight of 389.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 1317528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).