4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide

C19H23N3O2 — CID 17184545

IUPAC4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-9-7-16(8-10-18)15-21-11-13-22(14-12-21)19(23)20-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyNBSXUTBBDLALSF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.04
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide

4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 17184545) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID17184545
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-9-7-16(8-10-18)15-21-11-13-22(14-12-21)19(23)20-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyNBSXUTBBDLALSF-UHFFFAOYSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (CID 17184545) is 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is NBSXUTBBDLALSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-9-7-16(8-10-18)15-21-11-13-22(14-12-21)19(23)20-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 17184545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).