N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide

C11H21N3O2 — CID 62671383

IUPACN-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)CN)CC1
InChIInChI=1S/C11H21N3O2/c1-8(7-12)11(16)13-10-3-5-14(6-4-10)9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyVGGSZQLZCVRZTF-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide

N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide (PubChem CID 62671383) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
PubChem CID62671383
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)CN)CC1
InChIInChI=1S/C11H21N3O2/c1-8(7-12)11(16)13-10-3-5-14(6-4-10)9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyVGGSZQLZCVRZTF-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
5-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylpentanamide
CID 104684107
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452571
2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
CID 113223568

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide (CID 62671383) is N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide is CC(=O)N1CCC(NC(=O)C(C)CN)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide?
The InChIKey is VGGSZQLZCVRZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(7-12)11(16)13-10-3-5-14(6-4-10)9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,16).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide?
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide is sourced from PubChem (CID 62671383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).