3-chloro-N-(6-oxopiperidin-3-yl)propanamide

C8H13ClN2O2 — CID 63662078

IUPAC3-chloro-N-(6-oxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCCl)CN1
InChIInChI=1S/C8H13ClN2O2/c9-4-3-8(13)11-6-1-2-7(12)10-5-6/h6H,1-5H2,(H,10,12)(H,11,13)
InChIKeyDTVJCMBEIAAUDX-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.01
Rot. Bonds3

About 3-chloro-N-(6-oxopiperidin-3-yl)propanamide

3-chloro-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 63662078) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-chloro-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID63662078
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name3-chloro-N-(6-oxopiperidin-3-yl)propanamide
SMILESO=C1CCC(NC(=O)CCCl)CN1
InChIInChI=1S/C8H13ClN2O2/c9-4-3-8(13)11-6-1-2-7(12)10-5-6/h6H,1-5H2,(H,10,12)(H,11,13)
InChIKeyDTVJCMBEIAAUDX-UHFFFAOYSA-N
XLogP0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminocyclohexyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 55232086
2,2-dimethyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]propanamide
CID 62897735
N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
CID 62898102
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
CID 106192180
N-(6-oxopiperidin-3-yl)-3-piperidin-3-ylpropanamide
CID 63663011
3-(2-hydroxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 55211402
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62896427
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-chloro-N-(6-oxopiperidin-3-yl)propanamide (CID 63662078) is 3-chloro-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-chloro-N-(6-oxopiperidin-3-yl)propanamide is O=C1CCC(NC(=O)CCCl)CN1.
What is the InChIKey of 3-chloro-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is DTVJCMBEIAAUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c9-4-3-8(13)11-6-1-2-7(12)10-5-6/h6H,1-5H2,(H,10,12)(H,11,13).
What are the key properties of 3-chloro-N-(6-oxopiperidin-3-yl)propanamide?
3-chloro-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 204.66 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 63662078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).