1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C25H32N4O3 — CID 112822850

IUPAC1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H32N4O3/c30-23-9-5-4-8-22(23)26-25(32)21-10-12-29(13-11-21)24(31)19-28-16-14-27(15-17-28)18-20-6-2-1-3-7-20/h1-9,21,30H,10-19H2,(H,26,32)
InChIKeyWJNPZYNTANGDMT-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.39
Rot. Bonds6

About 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 112822850) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID112822850
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C25H32N4O3/c30-23-9-5-4-8-22(23)26-25(32)21-10-12-29(13-11-21)24(31)19-28-16-14-27(15-17-28)18-20-6-2-1-3-7-20/h1-9,21,30H,10-19H2,(H,26,32)
InChIKeyWJNPZYNTANGDMT-UHFFFAOYSA-N
XLogP2.39
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55838933
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 25377837
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 112822850) is 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1O)C1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is WJNPZYNTANGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-23-9-5-4-8-22(23)26-25(32)21-10-12-29(13-11-21)24(31)19-28-16-14-27(15-17-28)18-20-6-2-1-3-7-20/h1-9,21,30H,10-19H2,(H,26,32).
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 112822850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).