2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate

C18H25ClN2O4 — CID 108561337

IUPAC2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)OCCCl)CC2)cc1
InChIInChI=1S/C18H25ClN2O4/c1-2-24-16-5-3-14(4-6-16)13-17(22)20-15-7-10-21(11-8-15)18(23)25-12-9-19/h3-6,15H,2,7-13H2,1H3,(H,20,22)
InChIKeyMVDSUZWESOQNGL-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.58
Rot. Bonds7

About 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate

2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 108561337) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
PubChem CID108561337
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)OCCCl)CC2)cc1
InChIInChI=1S/C18H25ClN2O4/c1-2-24-16-5-3-14(4-6-16)13-17(22)20-15-7-10-21(11-8-15)18(23)25-12-9-19/h3-6,15H,2,7-13H2,1H3,(H,20,22)
InChIKeyMVDSUZWESOQNGL-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
2-chloroethyl 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108563121
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
2-(4-ethoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 78785999
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562203

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate (CID 108561337) is 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate is CCOc1ccc(CC(=O)NC2CCN(C(=O)OCCCl)CC2)cc1.
What is the InChIKey of 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is MVDSUZWESOQNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-2-24-16-5-3-14(4-6-16)13-17(22)20-15-7-10-21(11-8-15)18(23)25-12-9-19/h3-6,15H,2,7-13H2,1H3,(H,20,22).
What are the key properties of 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate?
2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 368.86 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108561337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).