N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide

C14H27N3O2 — CID 115586639

IUPACN-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
SMILESCCCCNC(=O)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-2-3-8-16-13(18)12-15-9-7-14(19)17-10-5-4-6-11-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyKWZNFNPTHANWBY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds8

About N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide

N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide (PubChem CID 115586639) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
PubChem CID115586639
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
SMILESCCCCNC(=O)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-2-3-8-16-13(18)12-15-9-7-14(19)17-10-5-4-6-11-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyKWZNFNPTHANWBY-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586646
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N-butyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 113406059
N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
3-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574208

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
The IUPAC name of N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide (CID 115586639) is N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
The canonical SMILES for N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide is CCCCNC(=O)CNCCC(=O)N1CCCCC1.
What is the InChIKey of N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
The InChIKey is KWZNFNPTHANWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-3-8-16-13(18)12-15-9-7-14(19)17-10-5-4-6-11-17/h15H,2-12H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide is sourced from PubChem (CID 115586639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).