2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate

C17H23ClN2O5 — CID 108563826

IUPAC2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)OCCCl)CC1
InChIInChI=1S/C17H23ClN2O5/c1-23-13-4-3-5-14(24-2)15(13)16(21)20-9-6-12(7-10-20)19-17(22)25-11-8-18/h3-5,12H,6-11H2,1-2H3,(H,19,22)
InChIKeyXXXSILATMXJKRP-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.27
Rot. Bonds6

About 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate

2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate (PubChem CID 108563826) has the molecular formula C17H23ClN2O5 and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate
PubChem CID108563826
Molecular FormulaC17H23ClN2O5
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)OCCCl)CC1
InChIInChI=1S/C17H23ClN2O5/c1-23-13-4-3-5-14(24-2)15(13)16(21)20-9-6-12(7-10-20)19-17(22)25-11-8-18/h3-5,12H,6-11H2,1-2H3,(H,19,22)
InChIKeyXXXSILATMXJKRP-UHFFFAOYSA-N
XLogP2.27
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
2-chloroethyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564006
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607
2-chloroethyl N-[1-(3-acetamidobenzoyl)piperidin-4-yl]carbamate
CID 108565532
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
3-cyclohexyl-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555663
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
2-chloroethyl N-[1-(3-phenylpropanoyl)piperidin-4-yl]carbamate
CID 108566100
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate (CID 108563826) is 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate is COc1cccc(OC)c1C(=O)N1CCC(NC(=O)OCCCl)CC1.
What is the InChIKey of 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate?
The InChIKey is XXXSILATMXJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O5/c1-23-13-4-3-5-14(24-2)15(13)16(21)20-9-6-12(7-10-20)19-17(22)25-11-8-18/h3-5,12H,6-11H2,1-2H3,(H,19,22).
What are the key properties of 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate?
2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate has a molecular weight of 370.83 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108563826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).