N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide

C12H23N3O3 — CID 54872286

IUPACN-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H23N3O3/c1-18-9-11(16)14-10-4-7-15(8-5-10)12(17)3-2-6-13/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyQUWJNEULRRBCBL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds6

About N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide

N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide (PubChem CID 54872286) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
PubChem CID54872286
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H23N3O3/c1-18-9-11(16)14-10-4-7-15(8-5-10)12(17)3-2-6-13/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyQUWJNEULRRBCBL-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 114014853
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 65466624
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 61265439
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876677
1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid
CID 5150877

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide (CID 54872286) is N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(C(=O)CCCN)CC1.
What is the InChIKey of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is QUWJNEULRRBCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-18-9-11(16)14-10-4-7-15(8-5-10)12(17)3-2-6-13/h10H,2-9,13H2,1H3,(H,14,16).
What are the key properties of N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide?
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 257.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 54872286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).