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

C17H35N3O — CID 110442144

IUPAC3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
SMILESCC(C)CC(=O)NCCCCCN(C)C1CCN(C)CC1
InChIInChI=1S/C17H35N3O/c1-15(2)14-17(21)18-10-6-5-7-11-20(4)16-8-12-19(3)13-9-16/h15-16H,5-14H2,1-4H3,(H,18,21)
InChIKeyIMWVDBZFAUVVOS-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.35
Rot. Bonds9

About 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide

3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide (PubChem CID 110442144) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
PubChem CID110442144
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
SMILESCC(C)CC(=O)NCCCCCN(C)C1CCN(C)CC1
InChIInChI=1S/C17H35N3O/c1-15(2)14-17(21)18-10-6-5-7-11-20(4)16-8-12-19(3)13-9-16/h15-16H,5-14H2,1-4H3,(H,18,21)
InChIKeyIMWVDBZFAUVVOS-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.35
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]acetamide
CID 110441171
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
CID 110445585
N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110839296
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
CID 110442921
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-(2-hydroxyethyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43509628
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide?
The IUPAC name of 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide (CID 110442144) is 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide is CC(C)CC(=O)NCCCCCN(C)C1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide?
The InChIKey is IMWVDBZFAUVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-15(2)14-17(21)18-10-6-5-7-11-20(4)16-8-12-19(3)13-9-16/h15-16H,5-14H2,1-4H3,(H,18,21).
What are the key properties of 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide?
3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide has a molecular weight of 297.49 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide is sourced from PubChem (CID 110442144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).