5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide

C20H32N4O — CID 123494767

IUPAC5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide
SMILESCNc1cc(N2CCCCC2)c(C(=O)NCC2CCCCC2)cc1N
InChIInChI=1S/C20H32N4O/c1-22-18-13-19(24-10-6-3-7-11-24)16(12-17(18)21)20(25)23-14-15-8-4-2-5-9-15/h12-13,15,22H,2-11,14,21H2,1H3,(H,23,25)
InChIKeyNCGBZGBGRIRBIR-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.61
Rot. Bonds5

About 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide

5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide (PubChem CID 123494767) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide
PubChem CID123494767
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide
SMILESCNc1cc(N2CCCCC2)c(C(=O)NCC2CCCCC2)cc1N
InChIInChI=1S/C20H32N4O/c1-22-18-13-19(24-10-6-3-7-11-24)16(12-17(18)21)20(25)23-14-15-8-4-2-5-9-15/h12-13,15,22H,2-11,14,21H2,1H3,(H,23,25)
InChIKeyNCGBZGBGRIRBIR-UHFFFAOYSA-N
XLogP3.61
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 67978849
N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide
CID 123819485
N-(cyclohexylmethyl)-2-(3-hydroxy-3-methylazetidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide
CID 123281677
5-amino-4-(methylamino)-2-[4-(trifluoromethyl)piperidin-1-yl]-N-(3,3,3-trifluoropropyl)benzamide
CID 86666490
N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55612373
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide (CID 123494767) is 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide is CNc1cc(N2CCCCC2)c(C(=O)NCC2CCCCC2)cc1N.
What is the InChIKey of 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide?
The InChIKey is NCGBZGBGRIRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22-18-13-19(24-10-6-3-7-11-24)16(12-17(18)21)20(25)23-14-15-8-4-2-5-9-15/h12-13,15,22H,2-11,14,21H2,1H3,(H,23,25).
What are the key properties of 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide?
5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide has a molecular weight of 344.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 123494767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).