2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide

C15H19ClN2O3 — CID 108563596

IUPAC2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C15H19ClN2O3/c1-21-13-5-3-2-4-12(13)15(20)18-8-6-11(7-9-18)17-14(19)10-16/h2-5,11H,6-10H2,1H3,(H,17,19)
InChIKeyRDIVXMIOGDBWHD-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.65
Rot. Bonds4

About 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide

2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 108563596) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID108563596
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C15H19ClN2O3/c1-21-13-5-3-2-4-12(13)15(20)18-8-6-11(7-9-18)17-14(19)10-16/h2-5,11H,6-10H2,1H3,(H,17,19)
InChIKeyRDIVXMIOGDBWHD-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.65
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-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
tert-butyl N-[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548229
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide (CID 108563596) is 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide is COc1ccccc1C(=O)N1CCC(NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is RDIVXMIOGDBWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-21-13-5-3-2-4-12(13)15(20)18-8-6-11(7-9-18)17-14(19)10-16/h2-5,11H,6-10H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide?
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 310.78 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108563596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).