N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide

C13H25N3O2 — CID 65227144

IUPACN-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C(CN)C(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-9(2)12(7-14)13(18)16-6-4-5-11(8-16)15-10(3)17/h9,11-12H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyVTOBELRVNKBYBD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.34
Rot. Bonds4

About N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide

N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide (PubChem CID 65227144) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide
PubChem CID65227144
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C(CN)C(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-9(2)12(7-14)13(18)16-6-4-5-11(8-16)15-10(3)17/h9,11-12H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyVTOBELRVNKBYBD-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
2-(aminomethyl)-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 63622833
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
N-[(3S)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]acetamide
CID 171593978
N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
CID 97313843

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide (CID 65227144) is N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)C(CN)C(C)C)C1.
What is the InChIKey of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide?
The InChIKey is VTOBELRVNKBYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)12(7-14)13(18)16-6-4-5-11(8-16)15-10(3)17/h9,11-12H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide?
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 65227144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).