N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide

C18H29N3O — CID 113110798

IUPACN-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C18H29N3O/c1-4-5-6-10-20-11-13-21(14-12-20)18(22)19-17-15(2)8-7-9-16(17)3/h7-9H,4-6,10-14H2,1-3H3,(H,19,22)
InChIKeyZIBSVKMKAZOTIL-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.64
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide (PubChem CID 113110798) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
PubChem CID113110798
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C18H29N3O/c1-4-5-6-10-20-11-13-21(14-12-20)18(22)19-17-15(2)8-7-9-16(17)3/h7-9H,4-6,10-14H2,1-3H3,(H,19,22)
InChIKeyZIBSVKMKAZOTIL-UHFFFAOYSA-N
XLogP3.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
N-(2,6-dimethylphenyl)-4-[2-[(4-fluorophenyl)methyl-pentanoylamino]ethyl]piperazine-1-carboxamide
CID 42711009
2-[(4-ethylpiperazine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61190598
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113107875
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 20795339

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide (CID 113110798) is N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide is CCCCCN1CCN(C(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide?
The InChIKey is ZIBSVKMKAZOTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-5-6-10-20-11-13-21(14-12-20)18(22)19-17-15(2)8-7-9-16(17)3/h7-9H,4-6,10-14H2,1-3H3,(H,19,22).
What are the key properties of N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide?
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 113110798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).