2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide

C17H23ClN2O4 — CID 108564100

IUPAC2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)C(C)Cl)CC2)c1
InChIInChI=1S/C17H23ClN2O4/c1-11(18)16(21)19-13-4-6-20(7-5-13)17(22)12-8-14(23-2)10-15(9-12)24-3/h8-11,13H,4-7H2,1-3H3,(H,19,21)
InChIKeyYKHFHGJBJAHGGW-UHFFFAOYSA-N
MW354.83 g/mol
LogP2.05
Rot. Bonds5

About 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide

2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 108564100) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID108564100
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)C(C)Cl)CC2)c1
InChIInChI=1S/C17H23ClN2O4/c1-11(18)16(21)19-13-4-6-20(7-5-13)17(22)12-8-14(23-2)10-15(9-12)24-3/h8-11,13H,4-7H2,1-3H3,(H,19,21)
InChIKeyYKHFHGJBJAHGGW-UHFFFAOYSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.05
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

N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413635
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555881
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 46540408
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide (CID 108564100) is 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide is COc1cc(OC)cc(C(=O)N2CCC(NC(=O)C(C)Cl)CC2)c1.
What is the InChIKey of 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is YKHFHGJBJAHGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-11(18)16(21)19-13-4-6-20(7-5-13)17(22)12-8-14(23-2)10-15(9-12)24-3/h8-11,13H,4-7H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 354.83 g/mol, XLogP of 2.05, 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-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108564100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).