2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C14H19Cl3N2O — CID 119459765

IUPAC2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1Cl)NCC1CCCNC1
InChIInChI=1S/C14H18Cl2N2O.ClH/c15-12-4-3-11(13(16)7-12)6-14(19)18-9-10-2-1-5-17-8-10;/h3-4,7,10,17H,1-2,5-6,8-9H2,(H,18,19);1H
InChIKeyVFBUIVHKXAHXJJ-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.07
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119459765) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119459765
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC Name2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1Cl)NCC1CCCNC1
InChIInChI=1S/C14H18Cl2N2O.ClH/c15-12-4-3-11(13(16)7-12)6-14(19)18-9-10-2-1-5-17-8-10;/h3-4,7,10,17H,1-2,5-6,8-9H2,(H,18,19);1H
InChIKeyVFBUIVHKXAHXJJ-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461638
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608
2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460553
3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119459765) is 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cc1ccc(Cl)cc1Cl)NCC1CCCNC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is VFBUIVHKXAHXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O.ClH/c15-12-4-3-11(13(16)7-12)6-14(19)18-9-10-2-1-5-17-8-10;/h3-4,7,10,17H,1-2,5-6,8-9H2,(H,18,19);1H.
What are the key properties of 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119459765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).