N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide

C29H29N3O2 — CID 11633817

IUPACN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCN(CCO)CC1)c1cccc2ccccc12
InChIInChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34)
InChIKeyZKWUJSYYFUCRNZ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.87
Rot. Bonds6

About N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide

N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide (PubChem CID 11633817) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide
PubChem CID11633817
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCN(CCO)CC1)c1cccc2ccccc12
InChIInChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34)
InChIKeyZKWUJSYYFUCRNZ-UHFFFAOYSA-N
XLogP4.87
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide (CID 11633817) is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide is O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(CCO)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
The InChIKey is ZKWUJSYYFUCRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34).
What are the key properties of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide?
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11633817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).