N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide

C16H25N3O — CID 63102745

IUPACN-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CNC(C)CN1
InChIInChI=1S/C16H25N3O/c1-4-12-7-6-8-13(5-2)15(12)19-16(20)14-10-17-11(3)9-18-14/h6-8,11,14,17-18H,4-5,9-10H2,1-3H3,(H,19,20)
InChIKeyCRAXWZNTYMOLAF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.70
Rot. Bonds4

About N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide

N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide (PubChem CID 63102745) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
PubChem CID63102745
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CNC(C)CN1
InChIInChI=1S/C16H25N3O/c1-4-12-7-6-8-13(5-2)15(12)19-16(20)14-10-17-11(3)9-18-14/h6-8,11,14,17-18H,4-5,9-10H2,1-3H3,(H,19,20)
InChIKeyCRAXWZNTYMOLAF-UHFFFAOYSA-N
XLogP1.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 63102747
N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981915
N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696796
N-(2,6-diethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890146
N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
CID 64562791
5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide
CID 63103654
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
CID 107855875
5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
CID 63102564
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide (CID 63102745) is N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide is CCc1cccc(CC)c1NC(=O)C1CNC(C)CN1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide?
The InChIKey is CRAXWZNTYMOLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-12-7-6-8-13(5-2)15(12)19-16(20)14-10-17-11(3)9-18-14/h6-8,11,14,17-18H,4-5,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide?
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63102745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).