2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide

C10H17ClN2O3 — CID 146094477

IUPAC2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)N1CCC(O)CC1)C(=O)CCl
InChIInChI=1S/C10H17ClN2O3/c1-12(9(15)6-11)7-10(16)13-4-2-8(14)3-5-13/h8,14H,2-7H2,1H3
InChIKeyGOIHWCRKBRQZMM-UHFFFAOYSA-N
MW248.71 g/mol
LogP-0.33
Rot. Bonds3

About 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide

2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide (PubChem CID 146094477) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
PubChem CID146094477
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC Name2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)N1CCC(O)CC1)C(=O)CCl
InChIInChI=1S/C10H17ClN2O3/c1-12(9(15)6-11)7-10(16)13-4-2-8(14)3-5-13/h8,14H,2-7H2,1H3
InChIKeyGOIHWCRKBRQZMM-UHFFFAOYSA-N
XLogP-0.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111781062
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
3-cyclopropyl-3-hydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 156723433
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 63105671
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]formamide
CID 142971251
3-(ethylamino)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 62831735
2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111560906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide (CID 146094477) is 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)N1CCC(O)CC1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The InChIKey is GOIHWCRKBRQZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3/c1-12(9(15)6-11)7-10(16)13-4-2-8(14)3-5-13/h8,14H,2-7H2,1H3.
What are the key properties of 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide?
2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide has a molecular weight of 248.71 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 146094477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).