N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide

C19H23N3O2 — CID 9156648

IUPACN-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-24-18-9-5-6-16(14-18)15-20-19(23)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,20,23)
InChIKeyWUCXZHHJKOKOKI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.73
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide

N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 9156648) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
PubChem CID9156648
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-24-18-9-5-6-16(14-18)15-20-19(23)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,20,23)
InChIKeyWUCXZHHJKOKOKI-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide (CID 9156648) is N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide is COc1cccc(CNC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is WUCXZHHJKOKOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-9-5-6-16(14-18)15-20-19(23)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,20,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 9156648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).