4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide

C16H32N4O2 — CID 166586186

IUPAC4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCOCCN1CCNCC1
InChIInChI=1S/C16H32N4O2/c1-13-12-14(17)2-3-15(13)16(21)19-6-10-22-11-9-20-7-4-18-5-8-20/h13-15,18H,2-12,17H2,1H3,(H,19,21)
InChIKeyNLZQLEVVENOUMB-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.21
Rot. Bonds7

About 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide

4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 166586186) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID166586186
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCOCCN1CCNCC1
InChIInChI=1S/C16H32N4O2/c1-13-12-14(17)2-3-15(13)16(21)19-6-10-22-11-9-20-7-4-18-5-8-20/h13-15,18H,2-12,17H2,1H3,(H,19,21)
InChIKeyNLZQLEVVENOUMB-UHFFFAOYSA-N
XLogP-0.21
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62782327
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
CID 138695504
4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62782165
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide
CID 62782527
ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
CID 169215012
5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114516722
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methylcyclohexane-1-carboxamide
CID 62782833

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide (CID 166586186) is 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NCCOCCN1CCNCC1.
What is the InChIKey of 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is NLZQLEVVENOUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-13-12-14(17)2-3-15(13)16(21)19-6-10-22-11-9-20-7-4-18-5-8-20/h13-15,18H,2-12,17H2,1H3,(H,19,21).
What are the key properties of 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide?
4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[2-(2-piperazin-1-ylethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166586186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).