(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

C15H20ClNO2 — CID 2904490

IUPAC(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H20ClNO2/c1-10-6-11(2)9-17(8-10)15(18)13-7-12(16)4-5-14(13)19-3/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyQUMLKJMHTWAWLD-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.47
Rot. Bonds2

About (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 2904490) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID2904490
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H20ClNO2/c1-10-6-11(2)9-17(8-10)15(18)13-7-12(16)4-5-14(13)19-3/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyQUMLKJMHTWAWLD-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120658746
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91783571
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(5-chloro-2-methoxyphenyl)-[(3R)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 129373829
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 2904490) is (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is QUMLKJMHTWAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-6-11(2)9-17(8-10)15(18)13-7-12(16)4-5-14(13)19-3/h4-5,7,10-11H,6,8-9H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 281.78 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 2904490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).