2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide

C13H25N3O2 — CID 43711887

IUPAC2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
SMILESCCC(N)C(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-4-11(14)12(17)15-10-5-7-16(8-6-10)13(18)9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyOICYBPZXEWRJIW-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds4

About 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide

2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide (PubChem CID 43711887) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
PubChem CID43711887
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
SMILESCCC(N)C(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-4-11(14)12(17)15-10-5-7-16(8-6-10)13(18)9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyOICYBPZXEWRJIW-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
1-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 86813571
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
CID 113314985
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide?
The IUPAC name of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide (CID 43711887) is 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide?
The canonical SMILES for 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide is CCC(N)C(=O)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide?
The InChIKey is OICYBPZXEWRJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-11(14)12(17)15-10-5-7-16(8-6-10)13(18)9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide?
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 43711887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).