2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide

C16H21ClN2O4 — CID 108563833

IUPAC2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C16H21ClN2O4/c1-22-12-4-3-5-13(23-2)15(12)16(21)19-8-6-11(7-9-19)18-14(20)10-17/h3-5,11H,6-10H2,1-2H3,(H,18,20)
InChIKeyYJUPZBNMKNWYNE-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.66
Rot. Bonds5

About 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide

2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 108563833) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID108563833
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C16H21ClN2O4/c1-22-12-4-3-5-13(23-2)15(12)16(21)19-8-6-11(7-9-19)18-14(20)10-17/h3-5,11H,6-10H2,1-2H3,(H,18,20)
InChIKeyYJUPZBNMKNWYNE-UHFFFAOYSA-N
XLogP1.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.66
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

2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
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-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamate
CID 108563826
3-cyclohexyl-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555663
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide (CID 108563833) is 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide is COc1cccc(OC)c1C(=O)N1CCC(NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is YJUPZBNMKNWYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-22-12-4-3-5-13(23-2)15(12)16(21)19-8-6-11(7-9-19)18-14(20)10-17/h3-5,11H,6-10H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide?
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108563833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).