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

C19H27ClN2O3 — CID 108559556

IUPACN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C(C)(C)CCl)CC2)cc1
InChIInChI=1S/C19H27ClN2O3/c1-19(2,13-20)18(24)22-10-8-15(9-11-22)21-17(23)12-14-4-6-16(25-3)7-5-14/h4-7,15H,8-13H2,1-3H3,(H,21,23)
InChIKeyDURHHPHKCOJUOI-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.61
Rot. Bonds6

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

N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 108559556) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID108559556
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C(C)(C)CCl)CC2)cc1
InChIInChI=1S/C19H27ClN2O3/c1-19(2,13-20)18(24)22-10-8-15(9-11-22)21-17(23)12-14-4-6-16(25-3)7-5-14/h4-7,15H,8-13H2,1-3H3,(H,21,23)
InChIKeyDURHHPHKCOJUOI-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.61
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-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560886
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
[3-[[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108559036
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
N-[4-(ethylamino)cyclohexyl]-2-(4-methoxyphenyl)acetamide
CID 43653285

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide (CID 108559556) is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCN(C(=O)C(C)(C)CCl)CC2)cc1.
What is the InChIKey of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is DURHHPHKCOJUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-19(2,13-20)18(24)22-10-8-15(9-11-22)21-17(23)12-14-4-6-16(25-3)7-5-14/h4-7,15H,8-13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 366.89 g/mol, XLogP of 2.61, 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 108559556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).