3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide

C13H25N3O2 — CID 106345005

IUPAC3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
SMILESCC(C)C(NC(=O)CCC1CCCNC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-9(2)12(13(14)18)16-11(17)6-5-10-4-3-7-15-8-10/h9-10,12,15H,3-8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyZAHRZLCKVXRVCH-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.39
Rot. Bonds6

About 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide

3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide (PubChem CID 106345005) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
PubChem CID106345005
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
SMILESCC(C)C(NC(=O)CCC1CCCNC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-9(2)12(13(14)18)16-11(17)6-5-10-4-3-7-15-8-10/h9-10,12,15H,3-8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyZAHRZLCKVXRVCH-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)-3-piperidin-3-ylpropanamide
CID 63843860
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
methyl (2S)-3-methyl-2-[(2-piperidin-3-ylacetyl)amino]butanoate
CID 62675949
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-3-ylpropanamide
CID 106350021
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 81078722
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 81400796
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide?
The IUPAC name of 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide (CID 106345005) is 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide?
The canonical SMILES for 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide is CC(C)C(NC(=O)CCC1CCCNC1)C(N)=O.
What is the InChIKey of 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide?
The InChIKey is ZAHRZLCKVXRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)12(13(14)18)16-11(17)6-5-10-4-3-7-15-8-10/h9-10,12,15H,3-8H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide?
3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide is sourced from PubChem (CID 106345005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).