2-chloro-N-piperidin-1-ylacetamide

C7H13ClN2O — CID 17164466

IUPAC2-chloro-N-piperidin-1-ylacetamide
SMILESO=C(CCl)NN1CCCCC1
InChIInChI=1S/C7H13ClN2O/c8-6-7(11)9-10-4-2-1-3-5-10/h1-6H2,(H,9,11)
InChIKeyKHKABTRLTAMKGO-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.74
Rot. Bonds2

About 2-chloro-N-piperidin-1-ylacetamide

2-chloro-N-piperidin-1-ylacetamide (PubChem CID 17164466) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-chloro-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-piperidin-1-ylacetamide
PubChem CID17164466
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name2-chloro-N-piperidin-1-ylacetamide
SMILESO=C(CCl)NN1CCCCC1
InChIInChI=1S/C7H13ClN2O/c8-6-7(11)9-10-4-2-1-3-5-10/h1-6H2,(H,9,11)
InChIKeyKHKABTRLTAMKGO-UHFFFAOYSA-N
XLogP0.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.74
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-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
2-chloro-N-morpholin-4-ylacetamide
CID 3653953
3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
N-(azepan-1-yl)butanamide
CID 67379865
1,3-dipyrrolidin-1-ylurea
CID 140976479
2,2-dichloro-N-piperidin-1-ylacetamide
CID 17164475
2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
CID 9271208
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 83005184
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclohexane-1-carboxylic acid
CID 83004969
2-[1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentyl]acetic acid
CID 83004766
N-pyrrolidin-1-ylacetamide
CID 22023174
aminomethyl N-piperidin-1-ylcarbamate
CID 154351217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-piperidin-1-ylacetamide?
The IUPAC name of 2-chloro-N-piperidin-1-ylacetamide (CID 17164466) is 2-chloro-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-chloro-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-chloro-N-piperidin-1-ylacetamide is O=C(CCl)NN1CCCCC1.
What is the InChIKey of 2-chloro-N-piperidin-1-ylacetamide?
The InChIKey is KHKABTRLTAMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O/c8-6-7(11)9-10-4-2-1-3-5-10/h1-6H2,(H,9,11).
What are the key properties of 2-chloro-N-piperidin-1-ylacetamide?
2-chloro-N-piperidin-1-ylacetamide has a molecular weight of 176.65 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-piperidin-1-ylacetamide is sourced from PubChem (CID 17164466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).