N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide

C15H23N3O — CID 82302374

IUPACN-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(C)c(NC(=O)N2CCNCC2)c1C
InChIInChI=1S/C15H23N3O/c1-10-9-11(2)13(4)14(12(10)3)17-15(19)18-7-5-16-6-8-18/h9,16H,5-8H2,1-4H3,(H,17,19)
InChIKeyIIUSFXBSBSGHQD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds1

About N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide

N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide (PubChem CID 82302374) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
PubChem CID82302374
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(C)c(NC(=O)N2CCNCC2)c1C
InChIInChI=1S/C15H23N3O/c1-10-9-11(2)13(4)14(12(10)3)17-15(19)18-7-5-16-6-8-18/h9,16H,5-8H2,1-4H3,(H,17,19)
InChIKeyIIUSFXBSBSGHQD-UHFFFAOYSA-N
XLogP2.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
CID 82094622
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 171916677
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
CID 61406146
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726
N-[(4-chloro-3,5-dimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108877852

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide (CID 82302374) is N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide is Cc1cc(C)c(C)c(NC(=O)N2CCNCC2)c1C.
What is the InChIKey of N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide?
The InChIKey is IIUSFXBSBSGHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-9-11(2)13(4)14(12(10)3)17-15(19)18-7-5-16-6-8-18/h9,16H,5-8H2,1-4H3,(H,17,19).
What are the key properties of N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide?
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 82302374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).