2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C15H21ClF2N2O2 — CID 119461994

IUPAC2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1OC(F)F)NCC1CCCNC1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-13-6-2-1-5-12(13)8-14(20)19-10-11-4-3-7-18-9-11;/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,19,20);1H
InChIKeyHLDORVODNRFYDY-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.37
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119461994) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119461994
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1OC(F)F)NCC1CCCNC1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-13-6-2-1-5-12(13)8-14(20)19-10-11-4-3-7-18-9-11;/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,19,20);1H
InChIKeyHLDORVODNRFYDY-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535561
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119464429
2-phenoxy-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461962
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119461994) is 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cc1ccccc1OC(F)F)NCC1CCCNC1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is HLDORVODNRFYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-13-6-2-1-5-12(13)8-14(20)19-10-11-4-3-7-18-9-11;/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,19,20);1H.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119461994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).