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

C20H22N4O2 — CID 110349977

IUPAC4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C(C#N)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-18-9-7-16(8-10-18)19(15-21)23-11-13-24(14-12-23)20(25)22-17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3,(H,22,25)
InChIKeyJEEKZFTVWARMJM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds4

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

4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 110349977) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID110349977
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C(C#N)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-18-9-7-16(8-10-18)19(15-21)23-11-13-24(14-12-23)20(25)22-17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3,(H,22,25)
InChIKeyJEEKZFTVWARMJM-UHFFFAOYSA-N
XLogP3.11
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349956
2-(4-methoxyphenyl)-2-[4-(1-phenyltriazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 78861545
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 110350372
2-[4-[4-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 78823959
2-(4-ethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350465
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349824
1-[cyano-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 84817743
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile
CID 78824020

Frequently Asked Questions

What is the IUPAC name of 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (CID 110349977) is 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is COc1ccc(C(C#N)N2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is JEEKZFTVWARMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-18-9-7-16(8-10-18)19(15-21)23-11-13-24(14-12-23)20(25)22-17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3,(H,22,25).
What are the key properties of 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110349977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).