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

C22H23N3O2 — CID 4544449

IUPAC4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O2/c1-27-21-9-5-4-8-20(21)24-12-14-25(15-13-24)22(26)23-19-11-10-17-6-2-3-7-18(17)16-19/h2-11,16H,12-15H2,1H3,(H,23,26)
InChIKeyPSOWXAXHWAMVFQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.20
Rot. Bonds3

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

4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (PubChem CID 4544449) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
PubChem CID4544449
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H23N3O2/c1-27-21-9-5-4-8-20(21)24-12-14-25(15-13-24)22(26)23-19-11-10-17-6-2-3-7-18(17)16-19/h2-11,16H,12-15H2,1H3,(H,23,26)
InChIKeyPSOWXAXHWAMVFQ-UHFFFAOYSA-N
XLogP4.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (CID 4544449) is 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The InChIKey is PSOWXAXHWAMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-9-5-4-8-20(21)24-12-14-25(15-13-24)22(26)23-19-11-10-17-6-2-3-7-18(17)16-19/h2-11,16H,12-15H2,1H3,(H,23,26).
What are the key properties of 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 4544449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).