4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide

C22H23N3O — CID 796895

IUPAC4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O/c26-22(23-21-12-6-10-19-9-4-5-11-20(19)21)25-15-13-24(14-16-25)17-18-7-2-1-3-8-18/h1-12H,13-17H2,(H,23,26)
InChIKeyRFMHQGJRWXPKJH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.19
Rot. Bonds3

About 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide

4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 796895) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID796895
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O/c26-22(23-21-12-6-10-19-9-4-5-11-20(19)21)25-15-13-24(14-16-25)17-18-7-2-1-3-8-18/h1-12H,13-17H2,(H,23,26)
InChIKeyRFMHQGJRWXPKJH-UHFFFAOYSA-N
XLogP4.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 796895) is 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is RFMHQGJRWXPKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(23-21-12-6-10-19-9-4-5-11-20(19)21)25-15-13-24(14-16-25)17-18-7-2-1-3-8-18/h1-12H,13-17H2,(H,23,26).
What are the key properties of 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 796895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).