2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide

C12H25N3O — CID 61486865

IUPAC2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H25N3O/c1-3-11(4-2)14-12(16)9-15-7-5-10(13)6-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyCXVALKRQFFPKFG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide

2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide (PubChem CID 61486865) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide
PubChem CID61486865
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H25N3O/c1-3-11(4-2)14-12(16)9-15-7-5-10(13)6-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyCXVALKRQFFPKFG-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
2-(4-acetylpiperidin-1-yl)-N-pentan-3-ylacetamide
CID 63846330
2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]propanamide
CID 79333210
(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid
CID 107565058
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389820
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
2-(4-aminopiperidin-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide
CID 79328478
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide (CID 61486865) is 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is CXVALKRQFFPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-11(4-2)14-12(16)9-15-7-5-10(13)6-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide?
2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).