N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide

C22H30N4O3 — CID 87003951

IUPACN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-24(2)15-16-29-19-9-7-18(8-10-19)17-23-22(28)26-13-11-25(12-14-26)20-5-3-4-6-21(20)27/h3-10,27H,11-17H2,1-2H3,(H,23,28)
InChIKeyRGTHAWSVBAJWOF-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.36
Rot. Bonds7

About N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 87003951) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID87003951
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-24(2)15-16-29-19-9-7-18(8-10-19)17-23-22(28)26-13-11-25(12-14-26)20-5-3-4-6-21(20)27/h3-10,27H,11-17H2,1-2H3,(H,23,28)
InChIKeyRGTHAWSVBAJWOF-UHFFFAOYSA-N
XLogP2.36
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003296
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185557
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
2-[[C-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111184427
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 112835935

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide (CID 87003951) is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide is CN(C)CCOc1ccc(CNC(=O)N2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is RGTHAWSVBAJWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-24(2)15-16-29-19-9-7-18(8-10-19)17-23-22(28)26-13-11-25(12-14-26)20-5-3-4-6-21(20)27/h3-10,27H,11-17H2,1-2H3,(H,23,28).
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 87003951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).