N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

C15H31N3O2 — CID 110839296

IUPACN-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)NCCCCCO)CC1
InChIInChI=1S/C15H31N3O2/c1-17-10-6-14(7-11-17)18(2)12-8-15(20)16-9-4-3-5-13-19/h14,19H,3-13H2,1-2H3,(H,16,20)
InChIKeyLVFSMJSGGKPOFZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.68
Rot. Bonds9

About N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (PubChem CID 110839296) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
PubChem CID110839296
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)NCCCCCO)CC1
InChIInChI=1S/C15H31N3O2/c1-17-10-6-14(7-11-17)18(2)12-8-15(20)16-9-4-3-5-13-19/h14,19H,3-13H2,1-2H3,(H,16,20)
InChIKeyLVFSMJSGGKPOFZ-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.68
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

3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
CID 110442144
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]acetamide
CID 110441171
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
CID 110445585
N-(2-hydroxyethyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43509628
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
CID 110442921
6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769
N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838996
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 118795070
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (CID 110839296) is N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is CN1CCC(N(C)CCC(=O)NCCCCCO)CC1.
What is the InChIKey of N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The InChIKey is LVFSMJSGGKPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-17-10-6-14(7-11-17)18(2)12-8-15(20)16-9-4-3-5-13-19/h14,19H,3-13H2,1-2H3,(H,16,20).
What are the key properties of N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 110839296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).