4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide

C22H25N3O3 — CID 166230886

IUPAC4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C22H25N3O3/c26-18-10-8-17(9-11-18)21(27)24-12-14-25(15-13-24)22(28)23-20-7-3-5-16-4-1-2-6-19(16)20/h3,5,7-11,26H,1-2,4,6,12-15H2,(H,23,28)
InChIKeyIYMQHEZUTUBNTO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.26
Rot. Bonds2

About 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide

4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide (PubChem CID 166230886) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
PubChem CID166230886
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C22H25N3O3/c26-18-10-8-17(9-11-18)21(27)24-12-14-25(15-13-24)22(28)23-20-7-3-5-16-4-1-2-6-19(16)20/h3,5,7-11,26H,1-2,4,6,12-15H2,(H,23,28)
InChIKeyIYMQHEZUTUBNTO-UHFFFAOYSA-N
XLogP3.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 20795339
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 118789794
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
4-benzoyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112826100
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-3-carboxamide
CID 18169235
4-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 62238146
2-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720985
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61181744
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide (CID 166230886) is 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide is O=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
The InChIKey is IYMQHEZUTUBNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-18-10-8-17(9-11-18)21(27)24-12-14-25(15-13-24)22(28)23-20-7-3-5-16-4-1-2-6-19(16)20/h3,5,7-11,26H,1-2,4,6,12-15H2,(H,23,28).
What are the key properties of 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide?
4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 166230886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).