N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide

C19H31N3O — CID 110442921

IUPACN-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
SMILESCN1CCC(N(C)CCCCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-21-15-11-18(12-16-21)22(2)14-8-4-7-13-20-19(23)17-9-5-3-6-10-17/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3,(H,20,23)
InChIKeyAULOWYPGXCZLFB-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.61
Rot. Bonds8

About N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide

N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide (PubChem CID 110442921) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide.

Molecular Properties

Compound NameN-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
PubChem CID110442921
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
SMILESCN1CCC(N(C)CCCCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-21-15-11-18(12-16-21)22(2)14-8-4-7-13-20-19(23)17-9-5-3-6-10-17/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3,(H,20,23)
InChIKeyAULOWYPGXCZLFB-UHFFFAOYSA-N
XLogP2.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
CID 110445585
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
CID 110442144
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110839296
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900
N-[3-(4-aminopiperidin-1-yl)propyl]benzamide
CID 118533812

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide?
The IUPAC name of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide (CID 110442921) is N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide.
What is the SMILES notation for N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide?
The canonical SMILES for N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide is CN1CCC(N(C)CCCCCNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide?
The InChIKey is AULOWYPGXCZLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-21-15-11-18(12-16-21)22(2)14-8-4-7-13-20-19(23)17-9-5-3-6-10-17/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3,(H,20,23).
What are the key properties of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide?
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide has a molecular weight of 317.48 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide is sourced from PubChem (CID 110442921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).