N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

C16H31N3O2 — CID 80547271

IUPACN-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCOC1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H31N3O2/c1-16(2,19-11-8-17-9-12-19)15(20)18-10-13-21-14-6-4-3-5-7-14/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyWQGZAJLSVCGZAI-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.14
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80547271) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80547271
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCOC1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H31N3O2/c1-16(2,19-11-8-17-9-12-19)15(20)18-10-13-21-14-6-4-3-5-7-14/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyWQGZAJLSVCGZAI-UHFFFAOYSA-N
XLogP1.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
2-amino-N-(2-cycloheptyloxyethyl)-2-methylpentanamide
CID 119786683
N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide
CID 113233400
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 63832479
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
N-(2-cyclopentyloxyethyl)-2-(ethylamino)-2-methylpropanamide
CID 55261847
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 80548101
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80547271) is N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NCCOC1CCCCC1)N1CCNCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is WQGZAJLSVCGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,19-11-8-17-9-12-19)15(20)18-10-13-21-14-6-4-3-5-7-14/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 297.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).