3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide

C11H21N3O2 — CID 112685112

IUPAC3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
SMILESNC(=O)CCNCCC(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2/c12-10(15)4-6-13-7-5-11(16)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)
InChIKeyDBORQHBKUBCXOA-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.15
Rot. Bonds6

About 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide

3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide (PubChem CID 112685112) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
PubChem CID112685112
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
SMILESNC(=O)CCNCCC(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2/c12-10(15)4-6-13-7-5-11(16)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)
InChIKeyDBORQHBKUBCXOA-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.15
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

1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
6-(azepan-1-yl)-6-oxohexanamide;hexane-1,6-diamine
CID 174378277
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
CID 107007094

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide?
The IUPAC name of 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide (CID 112685112) is 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide.
What is the SMILES notation for 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide?
The canonical SMILES for 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide is NC(=O)CCNCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide?
The InChIKey is DBORQHBKUBCXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(15)4-6-13-7-5-11(16)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15).
What are the key properties of 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide?
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide has a molecular weight of 227.31 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide is sourced from PubChem (CID 112685112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).