N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

C20H29ClN2O3 — CID 108560886

IUPACN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)C(C)(C)CCl)CC2)cc1C
InChIInChI=1S/C20H29ClN2O3/c1-14-5-6-17(11-15(14)2)26-12-18(24)22-16-7-9-23(10-8-16)19(25)20(3,4)13-21/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,24)
InChIKeyDTQZOJQBUJFMGO-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.05
Rot. Bonds6

About N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 108560886) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID108560886
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)C(C)(C)CCl)CC2)cc1C
InChIInChI=1S/C20H29ClN2O3/c1-14-5-6-17(11-15(14)2)26-12-18(24)22-16-7-9-23(10-8-16)19(25)20(3,4)13-21/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,24)
InChIKeyDTQZOJQBUJFMGO-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.05
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-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559556
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108553040
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (CID 108560886) is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)C(C)(C)CCl)CC2)cc1C.
What is the InChIKey of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is DTQZOJQBUJFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-14-5-6-17(11-15(14)2)26-12-18(24)22-16-7-9-23(10-8-16)19(25)20(3,4)13-21/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 380.92 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108560886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).