[3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium

C20H34FN3O+2 — CID 7316579

IUPAC[3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESC[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H32FN3O/c1-20(2,15-23(3)4)14-22-19(25)17-9-11-24(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,17H,9-15H2,1-4H3,(H,22,25)/p+2
InChIKeyDJPLGULSVNCRPQ-UHFFFAOYSA-P
MW351.51 g/mol
LogP-0.09
Rot. Bonds7

About [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium

[3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium (PubChem CID 7316579) has the molecular formula C20H34FN3O+2 and a molecular weight of 351.51 g/mol. Its IUPAC name is [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
PubChem CID7316579
Molecular FormulaC20H34FN3O+2
Molecular Weight351.51 g/mol
Exact Mass351.27
IUPAC Name[3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESC[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H32FN3O/c1-20(2,15-23(3)4)14-22-19(25)17-9-11-24(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,17H,9-15H2,1-4H3,(H,22,25)/p+2
InChIKeyDJPLGULSVNCRPQ-UHFFFAOYSA-P
XLogP-0.09
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium with MolForge

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Related Compounds

[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7323909
[3-[[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7323464
N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7323463
[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 9084038
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6966365
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
1-[(4-chlorophenyl)methyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidin-1-ium-4-carboxamide
CID 7759240
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The IUPAC name of [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium (CID 7316579) is [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium.
What is the SMILES notation for [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The canonical SMILES for [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium is C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1.
What is the InChIKey of [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The InChIKey is DJPLGULSVNCRPQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H32FN3O/c1-20(2,15-23(3)4)14-22-19(25)17-9-11-24(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,17H,9-15H2,1-4H3,(H,22,25)/p+2.
What are the key properties of [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
[3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium has a molecular weight of 351.51 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium is sourced from PubChem (CID 7316579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).