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

C15H22ClF2N3O — CID 119914369

IUPACN-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1.Cl
InChIInChI=1S/C15H21F2N3O.ClH/c1-18-8-11-3-2-6-20(9-11)10-15(21)19-12-4-5-13(16)14(17)7-12;/h4-5,7,11,18H,2-3,6,8-10H2,1H3,(H,19,21);1H
InChIKeyOSTMKYRMFKEWFG-UHFFFAOYSA-N
MW333.81 g/mol
LogP2.26
Rot. Bonds5

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

N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119914369) has the molecular formula C15H22ClF2N3O and a molecular weight of 333.81 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119914369
Molecular FormulaC15H22ClF2N3O
Molecular Weight333.81 g/mol
Exact Mass333.14
IUPAC NameN-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1.Cl
InChIInChI=1S/C15H21F2N3O.ClH/c1-18-8-11-3-2-6-20(9-11)10-15(21)19-12-4-5-13(16)14(17)7-12;/h4-5,7,11,18H,2-3,6,8-10H2,1H3,(H,19,21);1H
InChIKeyOSTMKYRMFKEWFG-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 86854742
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227198
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 62029233
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119395231
N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914494

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119914369) is N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CNCC1CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1.Cl.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is OSTMKYRMFKEWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O.ClH/c1-18-8-11-3-2-6-20(9-11)10-15(21)19-12-4-5-13(16)14(17)7-12;/h4-5,7,11,18H,2-3,6,8-10H2,1H3,(H,19,21);1H.
What are the key properties of N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 333.81 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119914369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).