3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide

C15H20F2N2O2 — CID 114700030

IUPAC3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1CNCCC1CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2N2O2/c1-10-8-18-6-5-12(10)9-19-14(20)11-3-2-4-13(7-11)21-15(16)17/h2-4,7,10,12,15,18H,5-6,8-9H2,1H3,(H,19,20)
InChIKeyIQRREWZJMPEKJB-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.26
Rot. Bonds5

About 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide

3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 114700030) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
PubChem CID114700030
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1CNCCC1CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2N2O2/c1-10-8-18-6-5-12(10)9-19-14(20)11-3-2-4-13(7-11)21-15(16)17/h2-4,7,10,12,15,18H,5-6,8-9H2,1H3,(H,19,20)
InChIKeyIQRREWZJMPEKJB-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699967
N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide
CID 114313814
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 114699978
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
3-(difluoromethoxy)-N-(1,4-dithian-2-ylmethyl)benzamide
CID 122150276
3-(difluoromethoxy)-N-[[(2S)-1,4-dithian-2-yl]methyl]benzamide
CID 124609151
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
2-(2,6-difluorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]acetamide
CID 114700053
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide (CID 114700030) is 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide is CC1CNCCC1CNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is IQRREWZJMPEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10-8-18-6-5-12(10)9-19-14(20)11-3-2-4-13(7-11)21-15(16)17/h2-4,7,10,12,15,18H,5-6,8-9H2,1H3,(H,19,20).
What are the key properties of 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 298.33 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 3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 114700030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).