2-[2-(propylaminomethyl)piperidin-1-yl]propanamide

C12H25N3O — CID 63848519

IUPAC2-[2-(propylaminomethyl)piperidin-1-yl]propanamide
SMILESCCCNCC1CCCCN1C(C)C(N)=O
InChIInChI=1S/C12H25N3O/c1-3-7-14-9-11-6-4-5-8-15(11)10(2)12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyXDXIUMYFQBLAKT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide

2-[2-(propylaminomethyl)piperidin-1-yl]propanamide (PubChem CID 63848519) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[2-(propylaminomethyl)piperidin-1-yl]propanamide
PubChem CID63848519
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2-(propylaminomethyl)piperidin-1-yl]propanamide
SMILESCCCNCC1CCCCN1C(C)C(N)=O
InChIInChI=1S/C12H25N3O/c1-3-7-14-9-11-6-4-5-8-15(11)10(2)12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyXDXIUMYFQBLAKT-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
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-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63847130
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
CID 83111623
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide?
The IUPAC name of 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide (CID 63848519) is 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide is CCCNCC1CCCCN1C(C)C(N)=O.
What is the InChIKey of 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide?
The InChIKey is XDXIUMYFQBLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-7-14-9-11-6-4-5-8-15(11)10(2)12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide?
2-[2-(propylaminomethyl)piperidin-1-yl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylaminomethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 63848519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).