N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide

C16H23ClN2O — CID 17270452

IUPACN-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-7-12(2)9-19(8-11)10-16(20)18-15-6-4-5-14(17)13(15)3/h4-6,11-12H,7-10H2,1-3H3,(H,18,20)
InChIKeyQMMOLIBYCUKGHP-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.56
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide (PubChem CID 17270452) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
PubChem CID17270452
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-7-12(2)9-19(8-11)10-16(20)18-15-6-4-5-14(17)13(15)3/h4-6,11-12H,7-10H2,1-3H3,(H,18,20)
InChIKeyQMMOLIBYCUKGHP-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 79992916
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]acetamide
CID 8929916
(3S,4S)-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954443
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8541617
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide (CID 17270452) is N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)CN1CC(C)CC(C)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
The InChIKey is QMMOLIBYCUKGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-7-12(2)9-19(8-11)10-16(20)18-15-6-4-5-14(17)13(15)3/h4-6,11-12H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 17270452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).