N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

C17H23ClN2O4 — CID 108557704

IUPACN-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O4/c1-23-10-11-24-12-16(21)19-15-6-8-20(9-7-15)17(22)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,19,21)
InChIKeySMXNKLBWMUKTSQ-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.72
Rot. Bonds7

About N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (PubChem CID 108557704) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
PubChem CID108557704
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC NameN-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O4/c1-23-10-11-24-12-16(21)19-15-6-8-20(9-7-15)17(22)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,19,21)
InChIKeySMXNKLBWMUKTSQ-UHFFFAOYSA-N
XLogP1.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635164
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706
(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
CID 97232471
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[2-(cycloheptylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 3376009

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (CID 108557704) is N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is SMXNKLBWMUKTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-23-10-11-24-12-16(21)19-15-6-8-20(9-7-15)17(22)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 354.83 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 108557704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).