2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide

C17H35N3O — CID 43113637

IUPAC2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCCN1CCCCC1C
InChIInChI=1S/C17H35N3O/c1-5-9-14(2)19-17(21)16(4)18-11-8-13-20-12-7-6-10-15(20)3/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyIYWRQGYGZUPIFY-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.53
Rot. Bonds9

About 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide

2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide (PubChem CID 43113637) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
PubChem CID43113637
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCCN1CCCCC1C
InChIInChI=1S/C17H35N3O/c1-5-9-14(2)19-17(21)16(4)18-11-8-13-20-12-7-6-10-15(20)3/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyIYWRQGYGZUPIFY-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 43085200
N,N-dimethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43086437
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
CID 107565964
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
N-(3-methylbutan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60696032
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215711
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide (CID 43113637) is 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCCCN1CCCCC1C.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide?
The InChIKey is IYWRQGYGZUPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-9-14(2)19-17(21)16(4)18-11-8-13-20-12-7-6-10-15(20)3/h14-16,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide?
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide has a molecular weight of 297.49 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43113637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).