4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide

C12H21ClN2O2 — CID 63307556

IUPAC4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(NC(=O)CCCCl)C(=O)N1CCCCC1
InChIInChI=1S/C12H21ClN2O2/c1-10(14-11(16)6-5-7-13)12(17)15-8-3-2-4-9-15/h10H,2-9H2,1H3,(H,14,16)
InChIKeyVRQYPWCEJKULPY-UHFFFAOYSA-N
MW260.76 g/mol
LogP1.52
Rot. Bonds5

About 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide

4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide (PubChem CID 63307556) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
PubChem CID63307556
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(NC(=O)CCCCl)C(=O)N1CCCCC1
InChIInChI=1S/C12H21ClN2O2/c1-10(14-11(16)6-5-7-13)12(17)15-8-3-2-4-9-15/h10H,2-9H2,1H3,(H,14,16)
InChIKeyVRQYPWCEJKULPY-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307575
4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 82109147
5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 110280517
tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate
CID 106707693
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 97228197
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The IUPAC name of 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide (CID 63307556) is 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide is CC(NC(=O)CCCCl)C(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The InChIKey is VRQYPWCEJKULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-10(14-11(16)6-5-7-13)12(17)15-8-3-2-4-9-15/h10H,2-9H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide has a molecular weight of 260.76 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 63307556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).