5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide

C13H25N3O — CID 63103124

IUPAC5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide
SMILESCC1CCCC(NC(=O)C2CNC(C)CN2)C1
InChIInChI=1S/C13H25N3O/c1-9-4-3-5-11(6-9)16-13(17)12-8-14-10(2)7-15-12/h9-12,14-15H,3-8H2,1-2H3,(H,16,17)
InChIKeyIGMVVMJOPJXAKR-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.63
Rot. Bonds2

About 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide

5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide (PubChem CID 63103124) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide
PubChem CID63103124
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide
SMILESCC1CCCC(NC(=O)C2CNC(C)CN2)C1
InChIInChI=1S/C13H25N3O/c1-9-4-3-5-11(6-9)16-13(17)12-8-14-10(2)7-15-12/h9-12,14-15H,3-8H2,1-2H3,(H,16,17)
InChIKeyIGMVVMJOPJXAKR-UHFFFAOYSA-N
XLogP0.63
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide
CID 63102388
N-(2-methoxycyclopentyl)-5-methylpiperazine-2-carboxamide
CID 63103670
N-cyclohexylaziridine-2-carboxamide;methanol
CID 142164431
N-cyclohexylaziridine-2-carboxamide
CID 142164432
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcyclohexyl)carbamic acid
CID 67410451
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
CID 107855875
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide (CID 63103124) is 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide is CC1CCCC(NC(=O)C2CNC(C)CN2)C1.
What is the InChIKey of 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide?
The InChIKey is IGMVVMJOPJXAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9-4-3-5-11(6-9)16-13(17)12-8-14-10(2)7-15-12/h9-12,14-15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide?
5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide is sourced from PubChem (CID 63103124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).