3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide

C24H40N4O2 — CID 68811711

IUPAC3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide
SMILESCOCCCCNC1CCC(CCN2CCN(c3cccc(C(N)=O)c3)CC2)CC1
InChIInChI=1S/C24H40N4O2/c1-30-18-3-2-12-26-22-9-7-20(8-10-22)11-13-27-14-16-28(17-15-27)23-6-4-5-21(19-23)24(25)29/h4-6,19-20,22,26H,2-3,7-18H2,1H3,(H2,25,29)
InChIKeyNDGQDWAVLQYRAZ-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.87
Rot. Bonds11

About 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide

3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide (PubChem CID 68811711) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide
PubChem CID68811711
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide
SMILESCOCCCCNC1CCC(CCN2CCN(c3cccc(C(N)=O)c3)CC2)CC1
InChIInChI=1S/C24H40N4O2/c1-30-18-3-2-12-26-22-9-7-20(8-10-22)11-13-27-14-16-28(17-15-27)23-6-4-5-21(19-23)24(25)29/h4-6,19-20,22,26H,2-3,7-18H2,1H3,(H2,25,29)
InChIKeyNDGQDWAVLQYRAZ-UHFFFAOYSA-N
XLogP2.87
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.87
H-Bond Donors ≤ 52
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-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
CID 70956348
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
2-cyano-N-[4-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 118481083
N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
CID 140543052
2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 161309199
3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 174589477
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221
2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 24781656
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
3-[4-[4-(1-benzofuran-2-carbonylamino)butyl]piperazin-1-yl]benzoic acid
CID 11611517
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
CID 68546178

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide?
The IUPAC name of 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide (CID 68811711) is 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide?
The canonical SMILES for 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide is COCCCCNC1CCC(CCN2CCN(c3cccc(C(N)=O)c3)CC2)CC1.
What is the InChIKey of 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide?
The InChIKey is NDGQDWAVLQYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-30-18-3-2-12-26-22-9-7-20(8-10-22)11-13-27-14-16-28(17-15-27)23-6-4-5-21(19-23)24(25)29/h4-6,19-20,22,26H,2-3,7-18H2,1H3,(H2,25,29).
What are the key properties of 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide?
3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide has a molecular weight of 416.61 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 68811711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).