2-[3-(methylaminomethyl)piperidin-1-yl]butanamide

C11H23N3O — CID 62899302

IUPAC2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCC(CNC)C1
InChIInChI=1S/C11H23N3O/c1-3-10(11(12)15)14-6-4-5-9(8-14)7-13-2/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyFEUHBORYGQBLEG-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds5

About 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide

2-[3-(methylaminomethyl)piperidin-1-yl]butanamide (PubChem CID 62899302) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
PubChem CID62899302
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCC(CNC)C1
InChIInChI=1S/C11H23N3O/c1-3-10(11(12)15)14-6-4-5-9(8-14)7-13-2/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyFEUHBORYGQBLEG-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
CID 64662613
tert-butyl 2-[[1-(1-amino-1-oxobutan-2-yl)piperidin-3-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 75391447
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
CID 79409445
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 78945283
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
CID 64663422

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide?
The IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide (CID 62899302) is 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide?
The canonical SMILES for 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide is CCC(C(N)=O)N1CCCC(CNC)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide?
The InChIKey is FEUHBORYGQBLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(11(12)15)14-6-4-5-9(8-14)7-13-2/h9-10,13H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide?
2-[3-(methylaminomethyl)piperidin-1-yl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 62899302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).