N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide

C14H21N3O — CID 82086576

IUPACN-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCNCC1
InChIInChI=1S/C14H21N3O/c1-3-12-6-4-5-11(2)13(12)16-14(18)17-9-7-15-8-10-17/h4-6,15H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyJRTCQQSUPVDDBA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds2

About N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide

N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide (PubChem CID 82086576) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
PubChem CID82086576
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCNCC1
InChIInChI=1S/C14H21N3O/c1-3-12-6-4-5-11(2)13(12)16-14(18)17-9-7-15-8-10-17/h4-6,15H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyJRTCQQSUPVDDBA-UHFFFAOYSA-N
XLogP1.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145953
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
CID 82302374
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110243
4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113110317
2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 119933404

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide (CID 82086576) is N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide is CCc1cccc(C)c1NC(=O)N1CCNCC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
The InChIKey is JRTCQQSUPVDDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-12-6-4-5-11(2)13(12)16-14(18)17-9-7-15-8-10-17/h4-6,15H,3,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide?
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 82086576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).