N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

C15H22Cl2FN3O — CID 119914724

IUPACN-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1.Cl
InChIInChI=1S/C15H21ClFN3O.ClH/c1-18-8-11-3-2-6-20(9-11)10-15(21)19-12-4-5-14(17)13(16)7-12;/h4-5,7,11,18H,2-3,6,8-10H2,1H3,(H,19,21);1H
InChIKeyOCZJVIASABBLIW-UHFFFAOYSA-N
MW350.27 g/mol
LogP2.77
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119914724) has the molecular formula C15H22Cl2FN3O and a molecular weight of 350.27 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119914724
Molecular FormulaC15H22Cl2FN3O
Molecular Weight350.27 g/mol
Exact Mass349.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1.Cl
InChIInChI=1S/C15H21ClFN3O.ClH/c1-18-8-11-3-2-6-20(9-11)10-15(21)19-12-4-5-14(17)13(16)7-12;/h4-5,7,11,18H,2-3,6,8-10H2,1H3,(H,19,21);1H
InChIKeyOCZJVIASABBLIW-UHFFFAOYSA-N
XLogP2.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914494
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 86854742

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119914724) is N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CNCC1CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1.Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is OCZJVIASABBLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O.ClH/c1-18-8-11-3-2-6-20(9-11)10-15(21)19-12-4-5-14(17)13(16)7-12;/h4-5,7,11,18H,2-3,6,8-10H2,1H3,(H,19,21);1H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 350.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119914724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).