4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide

C24H33N5O2 — CID 112837389

IUPAC4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C24H33N5O2/c30-23-9-4-8-22(20-23)28-16-18-29(19-17-28)24(31)25-10-5-11-26-12-14-27(15-13-26)21-6-2-1-3-7-21/h1-4,6-9,20,30H,5,10-19H2,(H,25,31)
InChIKeyMLRYXODOYOHRCH-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.44
Rot. Bonds6

About 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide

4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide (PubChem CID 112837389) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
PubChem CID112837389
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C24H33N5O2/c30-23-9-4-8-22(20-23)28-16-18-29(19-17-28)24(31)25-10-5-11-26-12-14-27(15-13-26)21-6-2-1-3-7-21/h1-4,6-9,20,30H,5,10-19H2,(H,25,31)
InChIKeyMLRYXODOYOHRCH-UHFFFAOYSA-N
XLogP2.44
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837390
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307
4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
CID 122560798

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide (CID 112837389) is 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The InChIKey is MLRYXODOYOHRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c30-23-9-4-8-22(20-23)28-16-18-29(19-17-28)24(31)25-10-5-11-26-12-14-27(15-13-26)21-6-2-1-3-7-21/h1-4,6-9,20,30H,5,10-19H2,(H,25,31).
What are the key properties of 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 112837389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).