N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide

C12H23N3O2 — CID 54996241

IUPACN-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-11(16)14-10-5-7-15(8-6-10)12(17)9(2)13/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyKZLKFONQLQGLJU-SECBINFHSA-N
MW241.33 g/mol
LogP0.24
Rot. Bonds4

About N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide

N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide (PubChem CID 54996241) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
PubChem CID54996241
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-11(16)14-10-5-7-15(8-6-10)12(17)9(2)13/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyKZLKFONQLQGLJU-SECBINFHSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
CID 54871655
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]butanamide
CID 60948008
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide
CID 115432123
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide
CID 108562873
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide (CID 54996241) is N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)[C@@H](C)N)CC1.
What is the InChIKey of N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide?
The InChIKey is KZLKFONQLQGLJU-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-11(16)14-10-5-7-15(8-6-10)12(17)9(2)13/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide?
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide has a molecular weight of 241.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 54996241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).