N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide

C16H25N3O2 — CID 113104947

IUPACN-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C16H25N3O2/c1-13-5-4-6-14(2)15(13)17-16(20)19-9-7-18(8-10-19)11-12-21-3/h4-6H,7-12H2,1-3H3,(H,17,20)
InChIKeyOFDKPNMHFXLYJY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.10
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide

N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113104947) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113104947
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C16H25N3O2/c1-13-5-4-6-14(2)15(13)17-16(20)19-9-7-18(8-10-19)11-12-21-3/h4-6H,7-12H2,1-3H3,(H,17,20)
InChIKeyOFDKPNMHFXLYJY-UHFFFAOYSA-N
XLogP2.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110243
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
4-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113107875
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927
4-(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113105000

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide (CID 113104947) is N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide is COCCN1CCN(C(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is OFDKPNMHFXLYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-5-4-6-14(2)15(13)17-16(20)19-9-7-18(8-10-19)11-12-21-3/h4-6H,7-12H2,1-3H3,(H,17,20).
What are the key properties of N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide?
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).