4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide

C22H21N3O3 — CID 78892976

IUPAC4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C22H21N3O3/c26-20-8-4-3-7-19(20)21(27)24-11-13-25(14-12-24)22(28)23-18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15,26H,11-14H2,(H,23,28)
InChIKeyCDONVUJRBPNXAF-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds2

About 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide

4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (PubChem CID 78892976) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
PubChem CID78892976
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C22H21N3O3/c26-20-8-4-3-7-19(20)21(27)24-11-13-25(14-12-24)22(28)23-18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15,26H,11-14H2,(H,23,28)
InChIKeyCDONVUJRBPNXAF-UHFFFAOYSA-N
XLogP3.54
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871756
N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
CID 56569494
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 132965547
N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide
CID 80979361
4-(2-chlorobenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811610
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871735
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
4-butyl-N-naphthalen-2-ylazepane-1-carboxamide
CID 23381450
N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide
CID 55629643

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (CID 78892976) is 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is O=C(Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The InChIKey is CDONVUJRBPNXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-20-8-4-3-7-19(20)21(27)24-11-13-25(14-12-24)22(28)23-18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15,26H,11-14H2,(H,23,28).
What are the key properties of 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 78892976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).