1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide

C15H21F2N2O3+ — CID 9443217

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide
SMILESCOc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-13-8-10(2-3-12(13)22-15(16)17)9-19-6-4-11(5-7-19)14(18)20/h2-3,8,11,15H,4-7,9H2,1H3,(H2,18,20)/p+1
InChIKeyZUTYYQAYFBGFNX-UHFFFAOYSA-O
MW315.34 g/mol
LogP0.58
Rot. Bonds6

About 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide (PubChem CID 9443217) has the molecular formula C15H21F2N2O3+ and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide
PubChem CID9443217
Molecular FormulaC15H21F2N2O3+
Molecular Weight315.34 g/mol
Exact Mass315.15
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide
SMILESCOc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-13-8-10(2-3-12(13)22-15(16)17)9-19-6-4-11(5-7-19)14(18)20/h2-3,8,11,15H,4-7,9H2,1H3,(H2,18,20)/p+1
InChIKeyZUTYYQAYFBGFNX-UHFFFAOYSA-O
XLogP0.58
TPSA65.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 7297417
2-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711256
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 9442824
ethyl 1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 7439633
1-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7301168
[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8871443
1-[[4-(dimethylamino)phenyl]methyl]piperidin-1-ium-4-carboxamide
CID 6966405
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 8721262
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide (CID 9443217) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide is COc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is ZUTYYQAYFBGFNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20F2N2O3/c1-21-13-8-10(2-3-12(13)22-15(16)17)9-19-6-4-11(5-7-19)14(18)20/h2-3,8,11,15H,4-7,9H2,1H3,(H2,18,20)/p+1.
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9443217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).